2-(3-acetamidoanilino)-2-phenylacetyl chloride

C16H15ClN2O2 — CID 142788297

IUPAC2-(3-acetamidoanilino)-2-phenylacetyl chloride
SMILESCC(=O)Nc1cccc(NC(C(=O)Cl)c2ccccc2)c1
InChIInChI=1S/C16H15ClN2O2/c1-11(20)18-13-8-5-9-14(10-13)19-15(16(17)21)12-6-3-2-4-7-12/h2-10,15,19H,1H3,(H,18,20)
InChIKeyMMUHBKIYBNXRRW-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.56
Rot. Bonds5

About 2-(3-acetamidoanilino)-2-phenylacetyl chloride

2-(3-acetamidoanilino)-2-phenylacetyl chloride (PubChem CID 142788297) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-(3-acetamidoanilino)-2-phenylacetyl chloride.

Molecular Properties

Compound Name2-(3-acetamidoanilino)-2-phenylacetyl chloride
PubChem CID142788297
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name2-(3-acetamidoanilino)-2-phenylacetyl chloride
SMILESCC(=O)Nc1cccc(NC(C(=O)Cl)c2ccccc2)c1
InChIInChI=1S/C16H15ClN2O2/c1-11(20)18-13-8-5-9-14(10-13)19-15(16(17)21)12-6-3-2-4-7-12/h2-10,15,19H,1H3,(H,18,20)
InChIKeyMMUHBKIYBNXRRW-UHFFFAOYSA-N
XLogP3.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1-phenylethylamino)phenyl]acetamide
CID 43178472
acetic acid;N-[3-(propan-2-ylamino)phenyl]acetamide
CID 174839462
N-[3-[(3-methyl-1-phenylbutyl)amino]phenyl]acetamide
CID 43824801
N-(3-acetamidophenyl)-3,3-diphenylpropanamide
CID 1190632
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
2-phenyl-2-[3-(propan-2-ylcarbamoylamino)anilino]acetamide
CID 51078431
2-phenyl-2-(3-propan-2-ylanilino)acetic acid
CID 21063795
N-[3-[1-(2-methylphenyl)ethylamino]phenyl]acetamide
CID 43193741
(2R)-N-[3-[[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methoxypropanamide
CID 52507919
(2S)-2-[[(1R)-2-chloro-2-oxo-1-phenylethyl]amino]-2-phenylacetyl chloride
CID 124679301
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
(2R)-2-phenyl-2-(3-propan-2-ylanilino)acetamide
CID 33474317

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidoanilino)-2-phenylacetyl chloride?
The IUPAC name of 2-(3-acetamidoanilino)-2-phenylacetyl chloride (CID 142788297) is 2-(3-acetamidoanilino)-2-phenylacetyl chloride.
What is the SMILES notation for 2-(3-acetamidoanilino)-2-phenylacetyl chloride?
The canonical SMILES for 2-(3-acetamidoanilino)-2-phenylacetyl chloride is CC(=O)Nc1cccc(NC(C(=O)Cl)c2ccccc2)c1.
What is the InChIKey of 2-(3-acetamidoanilino)-2-phenylacetyl chloride?
The InChIKey is MMUHBKIYBNXRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-11(20)18-13-8-5-9-14(10-13)19-15(16(17)21)12-6-3-2-4-7-12/h2-10,15,19H,1H3,(H,18,20).
What are the key properties of 2-(3-acetamidoanilino)-2-phenylacetyl chloride?
2-(3-acetamidoanilino)-2-phenylacetyl chloride has a molecular weight of 302.76 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidoanilino)-2-phenylacetyl chloride is sourced from PubChem (CID 142788297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).