4-chloro-N-(1-chloro-2-oxo-2-phenylethyl)benzamide

C15H11Cl2NO2 — CID 15497672

IUPAC4-chloro-N-(1-chloro-2-oxo-2-phenylethyl)benzamide
SMILESO=C(NC(Cl)C(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl2NO2/c16-12-8-6-11(7-9-12)15(20)18-14(17)13(19)10-4-2-1-3-5-10/h1-9,14H,(H,18,20)
InChIKeyZJJKMCUTNWVFLF-UHFFFAOYSA-N
MW308.16 g/mol
LogP3.52
Rot. Bonds4

About 4-chloro-N-(1-chloro-2-oxo-2-phenylethyl)benzamide

4-chloro-N-(1-chloro-2-oxo-2-phenylethyl)benzamide (PubChem CID 15497672) has the molecular formula C15H11Cl2NO2 and a molecular weight of 308.16 g/mol. Its IUPAC name is 4-chloro-N-(1-chloro-2-oxo-2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(1-chloro-2-oxo-2-phenylethyl)benzamide
PubChem CID15497672
Molecular FormulaC15H11Cl2NO2
Molecular Weight308.16 g/mol
Exact Mass307.02
IUPAC Name4-chloro-N-(1-chloro-2-oxo-2-phenylethyl)benzamide
SMILESO=C(NC(Cl)C(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl2NO2/c16-12-8-6-11(7-9-12)15(20)18-14(17)13(19)10-4-2-1-3-5-10/h1-9,14H,(H,18,20)
InChIKeyZJJKMCUTNWVFLF-UHFFFAOYSA-N
XLogP3.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-chloro-2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzamide
CID 23583750
4-chloro-N-[(1R)-1-(2-fluoroanilino)-2-oxo-2-phenylethyl]benzamide
CID 978938
N-[(1S)-1-chloro-2-oxo-2-phenylethyl]acetamide
CID 93494428
N-[1-benzylsulfanyl-2-(4-chlorophenyl)-2-oxoethyl]benzamide
CID 132932637
N-(1-chloro-2-oxobutyl)benzamide
CID 13139265
N-(1-benzamido-2-oxo-2-phenylethyl)benzamide
CID 1101094
N-[(1S)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 102217695
[1-(4-chlorophenyl)-1-oxopropan-2-yl] (2S)-2-benzamido-3-methylbutanoate
CID 16564578
2-chloro-2-(4-chlorophenyl)-1-phenylethanone
CID 14247251
4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050596
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
4-chloro-N-propan-2-ylbenzamide
CID 24045

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-chloro-2-oxo-2-phenylethyl)benzamide?
The IUPAC name of 4-chloro-N-(1-chloro-2-oxo-2-phenylethyl)benzamide (CID 15497672) is 4-chloro-N-(1-chloro-2-oxo-2-phenylethyl)benzamide.
What is the SMILES notation for 4-chloro-N-(1-chloro-2-oxo-2-phenylethyl)benzamide?
The canonical SMILES for 4-chloro-N-(1-chloro-2-oxo-2-phenylethyl)benzamide is O=C(NC(Cl)C(=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(1-chloro-2-oxo-2-phenylethyl)benzamide?
The InChIKey is ZJJKMCUTNWVFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO2/c16-12-8-6-11(7-9-12)15(20)18-14(17)13(19)10-4-2-1-3-5-10/h1-9,14H,(H,18,20).
What are the key properties of 4-chloro-N-(1-chloro-2-oxo-2-phenylethyl)benzamide?
4-chloro-N-(1-chloro-2-oxo-2-phenylethyl)benzamide has a molecular weight of 308.16 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-chloro-2-oxo-2-phenylethyl)benzamide is sourced from PubChem (CID 15497672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).