4-[(2-chloro-2-phenylacetyl)amino]-3-methylbenzamide

C16H15ClN2O2 — CID 43698893

IUPAC4-[(2-chloro-2-phenylacetyl)amino]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)C(Cl)c1ccccc1
InChIInChI=1S/C16H15ClN2O2/c1-10-9-12(15(18)20)7-8-13(10)19-16(21)14(17)11-5-3-2-4-6-11/h2-9,14H,1H3,(H2,18,20)(H,19,21)
InChIKeyXCMVRAOIZQEKPM-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.01
Rot. Bonds4

About 4-[(2-chloro-2-phenylacetyl)amino]-3-methylbenzamide

4-[(2-chloro-2-phenylacetyl)amino]-3-methylbenzamide (PubChem CID 43698893) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 4-[(2-chloro-2-phenylacetyl)amino]-3-methylbenzamide.

Molecular Properties

Compound Name4-[(2-chloro-2-phenylacetyl)amino]-3-methylbenzamide
PubChem CID43698893
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name4-[(2-chloro-2-phenylacetyl)amino]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)C(Cl)c1ccccc1
InChIInChI=1S/C16H15ClN2O2/c1-10-9-12(15(18)20)7-8-13(10)19-16(21)14(17)11-5-3-2-4-6-11/h2-9,14H,1H3,(H2,18,20)(H,19,21)
InChIKeyXCMVRAOIZQEKPM-UHFFFAOYSA-N
XLogP3.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4-fluoro-2-methylphenyl)-2-phenylacetamide
CID 43212453
3-[(2-chloro-2-phenylacetyl)amino]benzamide
CID 43346587
4-(2-aminobutanoylamino)-3-methylbenzamide
CID 43706667
4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylbenzamide
CID 61178927
2-chloro-N-(2-methylsulfanylphenyl)-2-phenylacetamide
CID 43236531
(2R)-2-chloro-N-(2-ethylphenyl)-2-phenylacetamide
CID 40554367
4-[2-(azetidin-3-yl)propanoylamino]-3-methylbenzamide
CID 116675477
3-methyl-4-(3-oxobutanoylamino)benzamide
CID 61251334
N-(4-bromo-2-chlorophenyl)-2-chloro-2-phenylacetamide
CID 43236641
2-chloro-N-(2-methyl-3-pyridinyl)-2-phenylacetamide
CID 79041942
4-methyl-3-(phenylcarbamoylamino)benzamide
CID 110472244
N-(2-bromo-4-fluorophenyl)-2-chloro-2-phenylacetamide
CID 43245530

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-2-phenylacetyl)amino]-3-methylbenzamide?
The IUPAC name of 4-[(2-chloro-2-phenylacetyl)amino]-3-methylbenzamide (CID 43698893) is 4-[(2-chloro-2-phenylacetyl)amino]-3-methylbenzamide.
What is the SMILES notation for 4-[(2-chloro-2-phenylacetyl)amino]-3-methylbenzamide?
The canonical SMILES for 4-[(2-chloro-2-phenylacetyl)amino]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1NC(=O)C(Cl)c1ccccc1.
What is the InChIKey of 4-[(2-chloro-2-phenylacetyl)amino]-3-methylbenzamide?
The InChIKey is XCMVRAOIZQEKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-10-9-12(15(18)20)7-8-13(10)19-16(21)14(17)11-5-3-2-4-6-11/h2-9,14H,1H3,(H2,18,20)(H,19,21).
What are the key properties of 4-[(2-chloro-2-phenylacetyl)amino]-3-methylbenzamide?
4-[(2-chloro-2-phenylacetyl)amino]-3-methylbenzamide has a molecular weight of 302.76 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-2-phenylacetyl)amino]-3-methylbenzamide is sourced from PubChem (CID 43698893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).