2-anilino-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide

C21H19ClN2O2 — CID 4879709

IUPAC2-anilino-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
SMILESCOc1ccc(NC(=O)C(Nc2ccccc2)c2ccccc2)cc1Cl
InChIInChI=1S/C21H19ClN2O2/c1-26-19-13-12-17(14-18(19)22)24-21(25)20(15-8-4-2-5-9-15)23-16-10-6-3-7-11-16/h2-14,20,23H,1H3,(H,24,25)
InChIKeyPDAKYQSMFOHXOM-UHFFFAOYSA-N
MW366.85 g/mol
LogP5.14
Rot. Bonds6

About 2-anilino-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide

2-anilino-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide (PubChem CID 4879709) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-anilino-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-anilino-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
PubChem CID4879709
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name2-anilino-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
SMILESCOc1ccc(NC(=O)C(Nc2ccccc2)c2ccccc2)cc1Cl
InChIInChI=1S/C21H19ClN2O2/c1-26-19-13-12-17(14-18(19)22)24-21(25)20(15-8-4-2-5-9-15)23-16-10-6-3-7-11-16/h2-14,20,23H,1H3,(H,24,25)
InChIKeyPDAKYQSMFOHXOM-UHFFFAOYSA-N
XLogP5.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.85
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 2471699
(2R)-2-chloro-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 2392261
2-anilino-2-(3-chloro-4-methoxyphenyl)acetamide
CID 65026961
N-(3-chloro-4-methoxyphenyl)-2-(phenylcarbamoylamino)propanamide
CID 51143820
3-(3-chloro-4-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550580
[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 4-carbamoylbenzoate
CID 55359068
2-(4-acetamidoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 51242163
N-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]benzamide
CID 2712885
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-2-phenylacetamide
CID 2454183
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896689
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896685
2-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 4792726

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide?
The IUPAC name of 2-anilino-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide (CID 4879709) is 2-anilino-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide.
What is the SMILES notation for 2-anilino-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide?
The canonical SMILES for 2-anilino-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide is COc1ccc(NC(=O)C(Nc2ccccc2)c2ccccc2)cc1Cl.
What is the InChIKey of 2-anilino-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide?
The InChIKey is PDAKYQSMFOHXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c1-26-19-13-12-17(14-18(19)22)24-21(25)20(15-8-4-2-5-9-15)23-16-10-6-3-7-11-16/h2-14,20,23H,1H3,(H,24,25).
What are the key properties of 2-anilino-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide?
2-anilino-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide has a molecular weight of 366.85 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide is sourced from PubChem (CID 4879709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).