N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide

C18H19ClN2O3 — CID 112998357

IUPACN-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNC(=O)Cc2ccccc2C)cc1Cl
InChIInChI=1S/C18H19ClN2O3/c1-12-5-3-4-6-13(12)9-17(22)20-11-18(23)21-14-7-8-16(24-2)15(19)10-14/h3-8,10H,9,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWREGGKGOFGLPPW-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.95
Rot. Bonds6

About N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide

N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide (PubChem CID 112998357) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
PubChem CID112998357
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNC(=O)Cc2ccccc2C)cc1Cl
InChIInChI=1S/C18H19ClN2O3/c1-12-5-3-4-6-13(12)9-17(22)20-11-18(23)21-14-7-8-16(24-2)15(19)10-14/h3-8,10H,9,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyWREGGKGOFGLPPW-UHFFFAOYSA-N
XLogP2.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9468421
N'-(3-chloro-4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 108984615
2-(benzylcarbamoylamino)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 24559562
N-[2-(3,5-dichloroanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 113001362
2-(2-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide
CID 112998185
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523988
N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9269646
2,4-dichloro-N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 2457198
1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38158814
N-(3-chloro-4-methoxyphenyl)-3-(2-methylphenoxy)propanamide
CID 2110283
(2S)-2-amino-N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 82963168
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 113000611

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide (CID 112998357) is N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide is COc1ccc(NC(=O)CNC(=O)Cc2ccccc2C)cc1Cl.
What is the InChIKey of N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide?
The InChIKey is WREGGKGOFGLPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12-5-3-4-6-13(12)9-17(22)20-11-18(23)21-14-7-8-16(24-2)15(19)10-14/h3-8,10H,9,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide?
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide has a molecular weight of 346.81 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 112998357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).