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

C17H17ClN2O3 — CID 9468421

IUPACN-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
SMILESCOc1ccc(NC(=O)CNC(=O)Cc2ccccc2)cc1Cl
InChIInChI=1S/C17H17ClN2O3/c1-23-15-8-7-13(10-14(15)18)20-17(22)11-19-16(21)9-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyVRLBRKWFBDPXFZ-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.65
Rot. Bonds6

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

N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide (PubChem CID 9468421) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
PubChem CID9468421
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC NameN-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
SMILESCOc1ccc(NC(=O)CNC(=O)Cc2ccccc2)cc1Cl
InChIInChI=1S/C17H17ClN2O3/c1-23-15-8-7-13(10-14(15)18)20-17(22)11-19-16(21)9-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyVRLBRKWFBDPXFZ-UHFFFAOYSA-N
XLogP2.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523988
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112998357
2-(benzylcarbamoylamino)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 24559562
N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9269646
N-benzyl-4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54843765
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9413480
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 17427883
2,4-dichloro-N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 2457198
N-(3-chloro-4-methoxyphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54823702
2-(3-aminophenyl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 28712195
N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131635
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112999287

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide (CID 9468421) is N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide is COc1ccc(NC(=O)CNC(=O)Cc2ccccc2)cc1Cl.
What is the InChIKey of N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide?
The InChIKey is VRLBRKWFBDPXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-23-15-8-7-13(10-14(15)18)20-17(22)11-19-16(21)9-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide?
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide has a molecular weight of 332.79 g/mol, XLogP of 2.65, 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-phenylacetamide is sourced from PubChem (CID 9468421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).