2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide

C19H22ClN3O3 — CID 46561666

IUPAC2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)N(C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C19H22ClN3O3/c1-13(19(25)22-16-10-6-7-11-17(16)26-3)23(2)12-18(24)21-15-9-5-4-8-14(15)20/h4-11,13H,12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyZWNNPWZZTLPKSA-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.25
Rot. Bonds7

About 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide

2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide (PubChem CID 46561666) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide
PubChem CID46561666
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)N(C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C19H22ClN3O3/c1-13(19(25)22-16-10-6-7-11-17(16)26-3)23(2)12-18(24)21-15-9-5-4-8-14(15)20/h4-11,13H,12H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyZWNNPWZZTLPKSA-UHFFFAOYSA-N
XLogP3.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-methoxyphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
CID 7986544
N-(2-methoxyphenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
CID 17437130
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-fluorophenyl)propanamide
CID 51167338
(2S)-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide
CID 25442603
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methylphenyl)propanamide
CID 46561720
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-cyclopropylpropanamide
CID 18196276
(2S)-N-benzhydryl-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 27220919
N-(2,5-dichlorophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 112769409
2-[benzyl(methyl)amino]-N-(2-methoxyphenyl)propanamide
CID 42911817
(2R)-N-(3-acetylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 9037867
(2R)-N-(2-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 9461268
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-quinolin-5-ylpropanamide
CID 42890733

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide (CID 46561666) is 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)C(C)N(C)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide?
The InChIKey is ZWNNPWZZTLPKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-13(19(25)22-16-10-6-7-11-17(16)26-3)23(2)12-18(24)21-15-9-5-4-8-14(15)20/h4-11,13H,12H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide?
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide has a molecular weight of 375.86 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 46561666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).