3-acetylbenzoyl chloride;4-[3-(3-acetylphenyl)-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide;deuterio(iodo)methane;4-ethylbenzoic acid;4-ethyl-N-[2-(2-hydroxyethoxy)ethyl]benzamide;hydrazine;hydrochloride

C88H113Cl2IN8O20 — CID 160826417

IUPAC3-acetylbenzoyl chloride;4-[3-(3-acetylphenyl)-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide;deuterio(iodo)methane;4-ethylbenzoic acid;4-ethyl-N-[2-(2-hydroxyethoxy)ethyl]benzamide;hydrazine;hydrochloride
SMILESCC(=O)c1cccc(C(=O)CCc2ccc(C(=O)NCCOCCO)cc2)c1.CC(=O)c1cccc(C(=O)Cl)c1.CCc1ccc(C(=O)NCCOCCO)cc1.CCc1ccc(C(=O)O)cc1.Cl.NCC(=O)c1cccc(C(=O)CCc2ccc(C(=O)NCCOCCO)cc2)c1.NCc1ccc(C(=O)NCCOCCO)cc1.NN.[2H]CI
InChIInChI=1S/C22H26N2O5.C22H25NO5.C13H19NO3.C12H18N2O3.C9H7ClO2.C9H10O2.CH3I.ClH.H4N2/c23-15-21(27)19-3-1-2-18(14-19)20(26)9-6-16-4-7-17(8-5-16)22(28)24-10-12-29-13-11-25;1-16(25)19-3-2-4-20(15-19)21(26)10-7-17-5-8-18(9-6-17)22(27)23-11-13-28-14-12-24;1-2-11-3-5-12(6-4-11)13(16)14-7-9-17-10-8-15;13-9-10-1-3-11(4-2-10)12(16)14-5-7-17-8-6-15;1-6(11)7-3-2-4-8(5-7)9(10)12;1-2-7-3-5-8(6-4-7)9(10)11;1-2;;1-2/h1-5,7-8,14,25H,6,9-13,15,23H2,(H,24,28);2-6,8-9,15,24H,7,10-14H2,1H3,(H,23,27);3-6,15H,2,7-10H2,1H3,(H,14,16);1-4,15H,5-9,13H2,(H,14,16);2-5H,1H3;3-6H,2H2,1H3,(H,10,11);1H3;1H;1-2H2/i;;;;;;1D;;
InChIKeyDUQUMJWTNYTUOD-UMMGPYKBSA-N
MW1801.72 g/mol
LogP9.20
Rot. Bonds41

About 3-acetylbenzoyl chloride;4-[3-(3-acetylphenyl)-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide;deuterio(iodo)methane;4-ethylbenzoic acid;4-ethyl-N-[2-(2-hydroxyethoxy)ethyl]benzamide;hydrazine;hydrochloride

3-acetylbenzoyl chloride;4-[3-(3-acetylphenyl)-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide;deuterio(iodo)methane;4-ethylbenzoic acid;4-ethyl-N-[2-(2-hydroxyethoxy)ethyl]benzamide;hydrazine;hydrochloride (PubChem CID 160826417) has the molecular formula C88H113Cl2IN8O20 and a molecular weight of 1801.72 g/mol. Its IUPAC name is 3-acetylbenzoyl chloride;4-[3-(3-acetylphenyl)-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide;deuterio(iodo)methane;4-ethylbenzoic acid;4-ethyl-N-[2-(2-hydroxyethoxy)ethyl]benzamide;hydrazine;hydrochloride.

Molecular Properties

Compound Name3-acetylbenzoyl chloride;4-[3-(3-acetylphenyl)-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide;deuterio(iodo)methane;4-ethylbenzoic acid;4-ethyl-N-[2-(2-hydroxyethoxy)ethyl]benzamide;hydrazine;hydrochloride
PubChem CID160826417
Molecular FormulaC88H113Cl2IN8O20
Molecular Weight1801.72 g/mol
Exact Mass1799.66
IUPAC Name3-acetylbenzoyl chloride;4-[3-(3-acetylphenyl)-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide;deuterio(iodo)methane;4-ethylbenzoic acid;4-ethyl-N-[2-(2-hydroxyethoxy)ethyl]benzamide;hydrazine;hydrochloride
SMILESCC(=O)c1cccc(C(=O)CCc2ccc(C(=O)NCCOCCO)cc2)c1.CC(=O)c1cccc(C(=O)Cl)c1.CCc1ccc(C(=O)NCCOCCO)cc1.CCc1ccc(C(=O)O)cc1.Cl.NCC(=O)c1cccc(C(=O)CCc2ccc(C(=O)NCCOCCO)cc2)c1.NCc1ccc(C(=O)NCCOCCO)cc1.NN.[2H]CI
InChIInChI=1S/C22H26N2O5.C22H25NO5.C13H19NO3.C12H18N2O3.C9H7ClO2.C9H10O2.CH3I.ClH.H4N2/c23-15-21(27)19-3-1-2-18(14-19)20(26)9-6-16-4-7-17(8-5-16)22(28)24-10-12-29-13-11-25;1-16(25)19-3-2-4-20(15-19)21(26)10-7-17-5-8-18(9-6-17)22(27)23-11-13-28-14-12-24;1-2-11-3-5-12(6-4-11)13(16)14-7-9-17-10-8-15;13-9-10-1-3-11(4-2-10)12(16)14-5-7-17-8-6-15;1-6(11)7-3-2-4-8(5-7)9(10)12;1-2-7-3-5-8(6-4-7)9(10)11;1-2;;1-2/h1-5,7-8,14,25H,6,9-13,15,23H2,(H,24,28);2-6,8-9,15,24H,7,10-14H2,1H3,(H,23,27);3-6,15H,2,7-10H2,1H3,(H,14,16);1-4,15H,5-9,13H2,(H,14,16);2-5H,1H3;3-6H,2H2,1H3,(H,10,11);1H3;1H;1-2H2/i;;;;;;1D;;
InChIKeyDUQUMJWTNYTUOD-UMMGPYKBSA-N
XLogP9.20
TPSA478.04 Ų
H-Bond Donors13
H-Bond Acceptors23
Rotatable Bonds41
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001801.72
LogP ≤ 59.20
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-acetylbenzoyl chloride;4-[3-(3-acetylphenyl)-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide;deuterio(iodo)methane;4-ethylbenzoic acid;4-ethyl-N-[2-(2-hydroxyethoxy)ethyl]benzamide;hydrazine;hydrochloride with MolForge

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Related Compounds

4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 160826418
4-(chloromethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 61251180
4-[3-[3-[2-[1-[5-(4-bromophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-[3-[3-[2-[1-[5-(4-tert-butylphenyl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-[3-[3-[2-[1-[5-(3,4-dichlorophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]acetyl]phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 158471484
N-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761
3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 60654478
4-ethyl-N-(2-phenylethyl)benzamide
CID 11841446
4-(aminomethyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]benzamide;hydrochloride
CID 119345843
N-[2-(2-hydroxyethoxy)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 60742768
N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 60918762
4-(aminomethyl)-N-[2-(4-butoxyphenyl)ethyl]benzamide;hydrochloride
CID 119284651
1-[4-(aminomethyl)phenyl]-3-phenylpropan-1-one
CID 116548233
3-[4-(2-methoxyethylcarbamoyl)phenyl]propanoic acid
CID 28760119

Frequently Asked Questions

What is the IUPAC name of 3-acetylbenzoyl chloride;4-[3-(3-acetylphenyl)-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide;deuterio(iodo)methane;4-ethylbenzoic acid;4-ethyl-N-[2-(2-hydroxyethoxy)ethyl]benzamide;hydrazine;hydrochloride?
The IUPAC name of 3-acetylbenzoyl chloride;4-[3-(3-acetylphenyl)-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide;deuterio(iodo)methane;4-ethylbenzoic acid;4-ethyl-N-[2-(2-hydroxyethoxy)ethyl]benzamide;hydrazine;hydrochloride (CID 160826417) is 3-acetylbenzoyl chloride;4-[3-(3-acetylphenyl)-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide;deuterio(iodo)methane;4-ethylbenzoic acid;4-ethyl-N-[2-(2-hydroxyethoxy)ethyl]benzamide;hydrazine;hydrochloride.
What is the SMILES notation for 3-acetylbenzoyl chloride;4-[3-(3-acetylphenyl)-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide;deuterio(iodo)methane;4-ethylbenzoic acid;4-ethyl-N-[2-(2-hydroxyethoxy)ethyl]benzamide;hydrazine;hydrochloride?
The canonical SMILES for 3-acetylbenzoyl chloride;4-[3-(3-acetylphenyl)-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide;deuterio(iodo)methane;4-ethylbenzoic acid;4-ethyl-N-[2-(2-hydroxyethoxy)ethyl]benzamide;hydrazine;hydrochloride is CC(=O)c1cccc(C(=O)CCc2ccc(C(=O)NCCOCCO)cc2)c1.CC(=O)c1cccc(C(=O)Cl)c1.CCc1ccc(C(=O)NCCOCCO)cc1.CCc1ccc(C(=O)O)cc1.Cl.NCC(=O)c1cccc(C(=O)CCc2ccc(C(=O)NCCOCCO)cc2)c1.NCc1ccc(C(=O)NCCOCCO)cc1.NN.[2H]CI.
What is the InChIKey of 3-acetylbenzoyl chloride;4-[3-(3-acetylphenyl)-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide;deuterio(iodo)methane;4-ethylbenzoic acid;4-ethyl-N-[2-(2-hydroxyethoxy)ethyl]benzamide;hydrazine;hydrochloride?
The InChIKey is DUQUMJWTNYTUOD-UMMGPYKBSA-N. The full InChI is InChI=1S/C22H26N2O5.C22H25NO5.C13H19NO3.C12H18N2O3.C9H7ClO2.C9H10O2.CH3I.ClH.H4N2/c23-15-21(27)19-3-1-2-18(14-19)20(26)9-6-16-4-7-17(8-5-16)22(28)24-10-12-29-13-11-25;1-16(25)19-3-2-4-20(15-19)21(26)10-7-17-5-8-18(9-6-17)22(27)23-11-13-28-14-12-24;1-2-11-3-5-12(6-4-11)13(16)14-7-9-17-10-8-15;13-9-10-1-3-11(4-2-10)12(16)14-5-7-17-8-6-15;1-6(11)7-3-2-4-8(5-7)9(10)12;1-2-7-3-5-8(6-4-7)9(10)11;1-2;;1-2/h1-5,7-8,14,25H,6,9-13,15,23H2,(H,24,28);2-6,8-9,15,24H,7,10-14H2,1H3,(H,23,27);3-6,15H,2,7-10H2,1H3,(H,14,16);1-4,15H,5-9,13H2,(H,14,16);2-5H,1H3;3-6H,2H2,1H3,(H,10,11);1H3;1H;1-2H2/i;;;;;;1D;;.
What are the key properties of 3-acetylbenzoyl chloride;4-[3-(3-acetylphenyl)-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide;deuterio(iodo)methane;4-ethylbenzoic acid;4-ethyl-N-[2-(2-hydroxyethoxy)ethyl]benzamide;hydrazine;hydrochloride?
3-acetylbenzoyl chloride;4-[3-(3-acetylphenyl)-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide;deuterio(iodo)methane;4-ethylbenzoic acid;4-ethyl-N-[2-(2-hydroxyethoxy)ethyl]benzamide;hydrazine;hydrochloride has a molecular weight of 1801.72 g/mol, XLogP of 9.20, 41 rotatable bonds, 13 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetylbenzoyl chloride;4-[3-(3-acetylphenyl)-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-[3-[3-(2-aminoacetyl)phenyl]-3-oxopropyl]-N-[2-(2-hydroxyethoxy)ethyl]benzamide;4-(aminomethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide;deuterio(iodo)methane;4-ethylbenzoic acid;4-ethyl-N-[2-(2-hydroxyethoxy)ethyl]benzamide;hydrazine;hydrochloride is sourced from PubChem (CID 160826417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).