N-[1-chloro-2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzamide

C16H13Cl2NO2 — CID 23583750

IUPACN-[1-chloro-2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(Cl)C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H13Cl2NO2/c1-10-2-4-12(5-3-10)16(21)19-15(18)14(20)11-6-8-13(17)9-7-11/h2-9,15H,1H3,(H,19,21)
InChIKeyORONFFDOWOZTKY-UHFFFAOYSA-N
MW322.19 g/mol
LogP3.83
Rot. Bonds4

About N-[1-chloro-2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzamide

N-[1-chloro-2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzamide (PubChem CID 23583750) has the molecular formula C16H13Cl2NO2 and a molecular weight of 322.19 g/mol. Its IUPAC name is N-[1-chloro-2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-chloro-2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzamide
PubChem CID23583750
Molecular FormulaC16H13Cl2NO2
Molecular Weight322.19 g/mol
Exact Mass321.03
IUPAC NameN-[1-chloro-2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(Cl)C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H13Cl2NO2/c1-10-2-4-12(5-3-10)16(21)19-15(18)14(20)11-6-8-13(17)9-7-11/h2-9,15H,1H3,(H,19,21)
InChIKeyORONFFDOWOZTKY-UHFFFAOYSA-N
XLogP3.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 53.83
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

4-chloro-N-(1-chloro-2-oxo-2-phenylethyl)benzamide
CID 15497672
N-(4-chlorobenzoyl)-4-methylbenzamide
CID 122212331
N-[2,2-dichloro-1-(4-chlorophenyl)sulfanylethyl]-4-methylbenzamide
CID 45142516
N-[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethyl]-4-methylbenzamide
CID 1115971
N-[(1S)-1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]-4-methylbenzamide
CID 27349912
N-(3-chlorobutan-2-yl)-4-methylbenzamide
CID 130948827
4-chloro-N-(3-methylbutan-2-yl)benzamide
CID 4263927
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
4-chloro-N-propan-2-ylbenzamide
CID 24045
N-[1-chloro-2-(4-methylphenyl)-2-oxoethyl]formamide
CID 130014132
(3R)-3-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]propanoate
CID 7310731
4-chloro-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 74292353

Frequently Asked Questions

What is the IUPAC name of N-[1-chloro-2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[1-chloro-2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzamide (CID 23583750) is N-[1-chloro-2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[1-chloro-2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[1-chloro-2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzamide is Cc1ccc(C(=O)NC(Cl)C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[1-chloro-2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzamide?
The InChIKey is ORONFFDOWOZTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO2/c1-10-2-4-12(5-3-10)16(21)19-15(18)14(20)11-6-8-13(17)9-7-11/h2-9,15H,1H3,(H,19,21).
What are the key properties of N-[1-chloro-2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzamide?
N-[1-chloro-2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzamide has a molecular weight of 322.19 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-chloro-2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 23583750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).