2-chloro-N-[(S)-(4-chlorophenyl)-phenylmethyl]acetamide

C15H13Cl2NO — CID 2466705

IUPAC2-chloro-N-[(S)-(4-chlorophenyl)-phenylmethyl]acetamide
SMILESO=C(CCl)N[C@@H](c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2NO/c16-10-14(19)18-15(11-4-2-1-3-5-11)12-6-8-13(17)9-7-12/h1-9,15H,10H2,(H,18,19)/t15-/m0/s1
InChIKeyIQUCNXSZNHPPML-HNNXBMFYSA-N
MW294.18 g/mol
LogP3.78
Rot. Bonds4

About 2-chloro-N-[(S)-(4-chlorophenyl)-phenylmethyl]acetamide

2-chloro-N-[(S)-(4-chlorophenyl)-phenylmethyl]acetamide (PubChem CID 2466705) has the molecular formula C15H13Cl2NO and a molecular weight of 294.18 g/mol. Its IUPAC name is 2-chloro-N-[(S)-(4-chlorophenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(S)-(4-chlorophenyl)-phenylmethyl]acetamide
PubChem CID2466705
Molecular FormulaC15H13Cl2NO
Molecular Weight294.18 g/mol
Exact Mass293.04
IUPAC Name2-chloro-N-[(S)-(4-chlorophenyl)-phenylmethyl]acetamide
SMILESO=C(CCl)N[C@@H](c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2NO/c16-10-14(19)18-15(11-4-2-1-3-5-11)12-6-8-13(17)9-7-12/h1-9,15H,10H2,(H,18,19)/t15-/m0/s1
InChIKeyIQUCNXSZNHPPML-HNNXBMFYSA-N
XLogP3.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 53.78
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-benzhydryl-4-(4-chlorophenyl)-4-oxobutanamide
CID 39676655
tert-butyl N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]carbamate
CID 59689146
N-[(R)-(4-chlorophenyl)-phenylmethyl]-2,2-dimethylpropanamide
CID 134948149
2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 99950620
2-(4-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 132762003
N-[3-[[(4-chlorophenyl)-phenylmethyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 55651655
phenyl N-[(4-chlorophenyl)-phenylmethyl]carbamate
CID 101077414
N-[(4-chlorophenyl)-phenylmethyl]-2-pyrazin-2-ylacetamide
CID 119052114
N-[(4-chlorophenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide
CID 2944649
N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide
CID 2195570
[2-(benzhydrylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 4852188
N-[bis(4-methoxyphenyl)methyl]-2-chloroacetamide
CID 4962456

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(S)-(4-chlorophenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-chloro-N-[(S)-(4-chlorophenyl)-phenylmethyl]acetamide (CID 2466705) is 2-chloro-N-[(S)-(4-chlorophenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(S)-(4-chlorophenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-chloro-N-[(S)-(4-chlorophenyl)-phenylmethyl]acetamide is O=C(CCl)N[C@@H](c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-N-[(S)-(4-chlorophenyl)-phenylmethyl]acetamide?
The InChIKey is IQUCNXSZNHPPML-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H13Cl2NO/c16-10-14(19)18-15(11-4-2-1-3-5-11)12-6-8-13(17)9-7-12/h1-9,15H,10H2,(H,18,19)/t15-/m0/s1.
What are the key properties of 2-chloro-N-[(S)-(4-chlorophenyl)-phenylmethyl]acetamide?
2-chloro-N-[(S)-(4-chlorophenyl)-phenylmethyl]acetamide has a molecular weight of 294.18 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(S)-(4-chlorophenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 2466705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).