N-(2-aminoethyl)-2,6-dichloro-3-[[2-(3-chlorophenyl)acetyl]amino]benzamide

C17H16Cl3N3O2 — CID 167265896

IUPACN-(2-aminoethyl)-2,6-dichloro-3-[[2-(3-chlorophenyl)acetyl]amino]benzamide
SMILESNCCNC(=O)c1c(Cl)ccc(NC(=O)Cc2cccc(Cl)c2)c1Cl
InChIInChI=1S/C17H16Cl3N3O2/c18-11-3-1-2-10(8-11)9-14(24)23-13-5-4-12(19)15(16(13)20)17(25)22-7-6-21/h1-5,8H,6-7,9,21H2,(H,22,25)(H,23,24)
InChIKeyASWNSYBVRPQQJK-UHFFFAOYSA-N
MW400.69 g/mol
LogP3.52
Rot. Bonds6

About N-(2-aminoethyl)-2,6-dichloro-3-[[2-(3-chlorophenyl)acetyl]amino]benzamide

N-(2-aminoethyl)-2,6-dichloro-3-[[2-(3-chlorophenyl)acetyl]amino]benzamide (PubChem CID 167265896) has the molecular formula C17H16Cl3N3O2 and a molecular weight of 400.69 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,6-dichloro-3-[[2-(3-chlorophenyl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,6-dichloro-3-[[2-(3-chlorophenyl)acetyl]amino]benzamide
PubChem CID167265896
Molecular FormulaC17H16Cl3N3O2
Molecular Weight400.69 g/mol
Exact Mass399.03
IUPAC NameN-(2-aminoethyl)-2,6-dichloro-3-[[2-(3-chlorophenyl)acetyl]amino]benzamide
SMILESNCCNC(=O)c1c(Cl)ccc(NC(=O)Cc2cccc(Cl)c2)c1Cl
InChIInChI=1S/C17H16Cl3N3O2/c18-11-3-1-2-10(8-11)9-14(24)23-13-5-4-12(19)15(16(13)20)17(25)22-7-6-21/h1-5,8H,6-7,9,21H2,(H,22,25)(H,23,24)
InChIKeyASWNSYBVRPQQJK-UHFFFAOYSA-N
XLogP3.52
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.69
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-(3-chlorophenyl)acetamide;hydrochloride
CID 119385267
(2S)-2-[[2,6-dichloro-3-[[2-(3-chlorophenyl)acetyl]amino]benzoyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylcarbamoylamino]propanoic acid
CID 167266910
N-(2-aminoethyl)-3-(3-chlorophenyl)propanamide
CID 94684838
N-(5-amino-2-fluorophenyl)-2-(3-chlorophenyl)acetamide
CID 55083516
N-(2,5-dichlorophenyl)-2-(3-hydroxyphenyl)acetamide
CID 61399999
2-amino-6-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 63658240
2-(3-chlorophenyl)-N-(3-hydroxy-2,4-dimethylphenyl)acetamide
CID 122133355
2-chloro-N-[(3-chlorophenyl)methyl]-6-fluorobenzamide
CID 2679700
N-(2-amino-4-chlorophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 63045441
2-(3-chlorophenyl)-N-[2-(methylaminomethyl)phenyl]acetamide
CID 62505669
N-(2-aminoethyl)-2-(4-chloro-3-fluorophenyl)acetamide
CID 110832954
2-(3-aminophenyl)-N-(2,3-dichlorophenyl)acetamide
CID 28712388

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,6-dichloro-3-[[2-(3-chlorophenyl)acetyl]amino]benzamide?
The IUPAC name of N-(2-aminoethyl)-2,6-dichloro-3-[[2-(3-chlorophenyl)acetyl]amino]benzamide (CID 167265896) is N-(2-aminoethyl)-2,6-dichloro-3-[[2-(3-chlorophenyl)acetyl]amino]benzamide.
What is the SMILES notation for N-(2-aminoethyl)-2,6-dichloro-3-[[2-(3-chlorophenyl)acetyl]amino]benzamide?
The canonical SMILES for N-(2-aminoethyl)-2,6-dichloro-3-[[2-(3-chlorophenyl)acetyl]amino]benzamide is NCCNC(=O)c1c(Cl)ccc(NC(=O)Cc2cccc(Cl)c2)c1Cl.
What is the InChIKey of N-(2-aminoethyl)-2,6-dichloro-3-[[2-(3-chlorophenyl)acetyl]amino]benzamide?
The InChIKey is ASWNSYBVRPQQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3N3O2/c18-11-3-1-2-10(8-11)9-14(24)23-13-5-4-12(19)15(16(13)20)17(25)22-7-6-21/h1-5,8H,6-7,9,21H2,(H,22,25)(H,23,24).
What are the key properties of N-(2-aminoethyl)-2,6-dichloro-3-[[2-(3-chlorophenyl)acetyl]amino]benzamide?
N-(2-aminoethyl)-2,6-dichloro-3-[[2-(3-chlorophenyl)acetyl]amino]benzamide has a molecular weight of 400.69 g/mol, XLogP of 3.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,6-dichloro-3-[[2-(3-chlorophenyl)acetyl]amino]benzamide is sourced from PubChem (CID 167265896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).