N-(benzylcarbamoyl)-2-(4-chloro-2-methoxy-5-methylanilino)propanamide

C19H22ClN3O3 — CID 18133169

IUPACN-(benzylcarbamoyl)-2-(4-chloro-2-methoxy-5-methylanilino)propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(C)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C19H22ClN3O3/c1-12-9-16(17(26-3)10-15(12)20)22-13(2)18(24)23-19(25)21-11-14-7-5-4-6-8-14/h4-10,13,22H,11H2,1-3H3,(H2,21,23,24,25)
InChIKeyBIWWYQQXOMIGCG-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.48
Rot. Bonds6

About N-(benzylcarbamoyl)-2-(4-chloro-2-methoxy-5-methylanilino)propanamide

N-(benzylcarbamoyl)-2-(4-chloro-2-methoxy-5-methylanilino)propanamide (PubChem CID 18133169) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-(4-chloro-2-methoxy-5-methylanilino)propanamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-(4-chloro-2-methoxy-5-methylanilino)propanamide
PubChem CID18133169
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC NameN-(benzylcarbamoyl)-2-(4-chloro-2-methoxy-5-methylanilino)propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(C)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C19H22ClN3O3/c1-12-9-16(17(26-3)10-15(12)20)22-13(2)18(24)23-19(25)21-11-14-7-5-4-6-8-14/h4-10,13,22H,11H2,1-3H3,(H2,21,23,24,25)
InChIKeyBIWWYQQXOMIGCG-UHFFFAOYSA-N
XLogP3.48
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methoxy-5-methylanilino)-N-(ethylcarbamoyl)propanamide
CID 18084847
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 108898583
2-(4-chloro-2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 4883000
2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)propanamide
CID 42912800
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(1-phenylethyl)urea
CID 108988820
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 17427883
2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]propanamide
CID 43328804
(2R)-2-(4-chloro-2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 2471713
2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 134062826
1-benzyl-3-(4-chloro-2-methoxy-5-methylphenyl)-1-methylurea
CID 108988904
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide
CID 108946828
N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylbutanamide
CID 4262485

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-(4-chloro-2-methoxy-5-methylanilino)propanamide?
The IUPAC name of N-(benzylcarbamoyl)-2-(4-chloro-2-methoxy-5-methylanilino)propanamide (CID 18133169) is N-(benzylcarbamoyl)-2-(4-chloro-2-methoxy-5-methylanilino)propanamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-(4-chloro-2-methoxy-5-methylanilino)propanamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-(4-chloro-2-methoxy-5-methylanilino)propanamide is COc1cc(Cl)c(C)cc1NC(C)C(=O)NC(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamoyl)-2-(4-chloro-2-methoxy-5-methylanilino)propanamide?
The InChIKey is BIWWYQQXOMIGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-12-9-16(17(26-3)10-15(12)20)22-13(2)18(24)23-19(25)21-11-14-7-5-4-6-8-14/h4-10,13,22H,11H2,1-3H3,(H2,21,23,24,25).
What are the key properties of N-(benzylcarbamoyl)-2-(4-chloro-2-methoxy-5-methylanilino)propanamide?
N-(benzylcarbamoyl)-2-(4-chloro-2-methoxy-5-methylanilino)propanamide has a molecular weight of 375.86 g/mol, XLogP of 3.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-(4-chloro-2-methoxy-5-methylanilino)propanamide is sourced from PubChem (CID 18133169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).