4-amino-5-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-methoxybenzamide;hydrochloride

C20H25Cl2N3O3 — CID 119774991

IUPAC4-amino-5-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-methoxybenzamide;hydrochloride
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cc(Cl)c(N)cc1OC.Cl
InChIInChI=1S/C20H24ClN3O3.ClH/c1-5-24(12-13-6-8-14(9-7-13)19(25)23(2)3)20(26)15-10-16(21)17(22)11-18(15)27-4;/h6-11H,5,12,22H2,1-4H3;1H
InChIKeyIPSCZQJAWADOKJ-UHFFFAOYSA-N
MW426.34 g/mol
LogP3.72
Rot. Bonds6

About 4-amino-5-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-methoxybenzamide;hydrochloride

4-amino-5-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-methoxybenzamide;hydrochloride (PubChem CID 119774991) has the molecular formula C20H25Cl2N3O3 and a molecular weight of 426.34 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-methoxybenzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-5-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-methoxybenzamide;hydrochloride
PubChem CID119774991
Molecular FormulaC20H25Cl2N3O3
Molecular Weight426.34 g/mol
Exact Mass425.13
IUPAC Name4-amino-5-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-methoxybenzamide;hydrochloride
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cc(Cl)c(N)cc1OC.Cl
InChIInChI=1S/C20H24ClN3O3.ClH/c1-5-24(12-13-6-8-14(9-7-13)19(25)23(2)3)20(26)15-10-16(21)17(22)11-18(15)27-4;/h6-11H,5,12,22H2,1-4H3;1H
InChIKeyIPSCZQJAWADOKJ-UHFFFAOYSA-N
XLogP3.72
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-dimethoxybenzamide
CID 56511790
4-amino-5-chloro-2-methoxy-N,N-bis(2-methoxyethyl)benzamide
CID 119672646
4-butoxy-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methoxybenzamide
CID 56512309
4-[[ethyl-[2-(3,4,5-trimethoxyphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 56512693
4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide;hydrochloride
CID 119958197
4-amino-5-chloro-N-[[3-(diethylaminomethyl)phenyl]methyl]-2-methoxybenzamide;dihydrochloride
CID 119847474
4-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methylbenzamide
CID 90103674
2-amino-N,N-diethyl-4,5-dimethoxybenzamide
CID 16776188
4-amino-5-chloro-2-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide;hydrochloride
CID 119689180
4-amino-5-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methoxybenzamide;dihydrochloride
CID 119895304
[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 9078972
4-amino-5-chloro-2-methoxy-N-methyl-N-(3,4,5-trimethoxyphenyl)benzamide
CID 119802021

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-methoxybenzamide;hydrochloride?
The IUPAC name of 4-amino-5-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-methoxybenzamide;hydrochloride (CID 119774991) is 4-amino-5-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-methoxybenzamide;hydrochloride.
What is the SMILES notation for 4-amino-5-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-methoxybenzamide;hydrochloride?
The canonical SMILES for 4-amino-5-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-methoxybenzamide;hydrochloride is CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cc(Cl)c(N)cc1OC.Cl.
What is the InChIKey of 4-amino-5-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-methoxybenzamide;hydrochloride?
The InChIKey is IPSCZQJAWADOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3.ClH/c1-5-24(12-13-6-8-14(9-7-13)19(25)23(2)3)20(26)15-10-16(21)17(22)11-18(15)27-4;/h6-11H,5,12,22H2,1-4H3;1H.
What are the key properties of 4-amino-5-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-methoxybenzamide;hydrochloride?
4-amino-5-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-methoxybenzamide;hydrochloride has a molecular weight of 426.34 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-methoxybenzamide;hydrochloride is sourced from PubChem (CID 119774991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).