2-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-2-phenylacetamide

C17H17Cl2NO — CID 43697058

IUPAC2-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-2-phenylacetamide
SMILESCC(Cc1ccc(Cl)cc1)NC(=O)C(Cl)c1ccccc1
InChIInChI=1S/C17H17Cl2NO/c1-12(11-13-7-9-15(18)10-8-13)20-17(21)16(19)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H,20,21)
InChIKeyQWOZGFSEULOBMY-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.37
Rot. Bonds5

About 2-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-2-phenylacetamide

2-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-2-phenylacetamide (PubChem CID 43697058) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-2-phenylacetamide
PubChem CID43697058
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name2-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-2-phenylacetamide
SMILESCC(Cc1ccc(Cl)cc1)NC(=O)C(Cl)c1ccccc1
InChIInChI=1S/C17H17Cl2NO/c1-12(11-13-7-9-15(18)10-8-13)20-17(21)16(19)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H,20,21)
InChIKeyQWOZGFSEULOBMY-UHFFFAOYSA-N
XLogP4.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpropanamide
CID 60769951
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylacetamide
CID 81352338
2,2-diphenyl-N-[(2R)-1-phenylpropan-2-yl]acetamide
CID 1375536
2-anilino-N-[1-(4-chlorophenyl)propan-2-yl]acetamide
CID 60860440
2-chloro-N-heptan-2-yl-2-phenylacetamide
CID 43578893
2-(chloroamino)-N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 89079838
2-[(2-chloro-2-phenylacetyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CID 70006715
ethyl (2R)-2-[[(2S)-2-chloro-2-(4-chlorophenyl)acetyl]amino]-2-phenylacetate
CID 101040228
(2S)-2-[1-(4-chlorophenyl)propan-2-ylamino]-3-phenylpropanoic acid
CID 122037636
N-[2-(4-chlorophenyl)-1-phenylethyl]-3-methylbutanamide
CID 60548268
(2R)-2-amino-N-(1-phenylpropan-2-yl)propanamide
CID 78923419
2-(aminomethyl)-N-[1-(4-chlorophenyl)propan-2-yl]pentanamide
CID 65226183

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-2-phenylacetamide (CID 43697058) is 2-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-2-phenylacetamide is CC(Cc1ccc(Cl)cc1)NC(=O)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-2-phenylacetamide?
The InChIKey is QWOZGFSEULOBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-12(11-13-7-9-15(18)10-8-13)20-17(21)16(19)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H,20,21).
What are the key properties of 2-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-2-phenylacetamide?
2-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-2-phenylacetamide has a molecular weight of 322.24 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-2-phenylacetamide is sourced from PubChem (CID 43697058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).