3-[(2-chloroacetyl)amino]-N-(2-chlorophenyl)benzamide

C15H12Cl2N2O2 — CID 164603585

IUPAC3-[(2-chloroacetyl)amino]-N-(2-chlorophenyl)benzamide
SMILESO=C(CCl)Nc1cccc(C(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C15H12Cl2N2O2/c16-9-14(20)18-11-5-3-4-10(8-11)15(21)19-13-7-2-1-6-12(13)17/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKeyRCLNXXKHOYULSX-UHFFFAOYSA-N
MW323.18 g/mol
LogP3.77
Rot. Bonds4

About 3-[(2-chloroacetyl)amino]-N-(2-chlorophenyl)benzamide

3-[(2-chloroacetyl)amino]-N-(2-chlorophenyl)benzamide (PubChem CID 164603585) has the molecular formula C15H12Cl2N2O2 and a molecular weight of 323.18 g/mol. Its IUPAC name is 3-[(2-chloroacetyl)amino]-N-(2-chlorophenyl)benzamide.

Molecular Properties

Compound Name3-[(2-chloroacetyl)amino]-N-(2-chlorophenyl)benzamide
PubChem CID164603585
Molecular FormulaC15H12Cl2N2O2
Molecular Weight323.18 g/mol
Exact Mass322.03
IUPAC Name3-[(2-chloroacetyl)amino]-N-(2-chlorophenyl)benzamide
SMILESO=C(CCl)Nc1cccc(C(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C15H12Cl2N2O2/c16-9-14(20)18-11-5-3-4-10(8-11)15(21)19-13-7-2-1-6-12(13)17/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKeyRCLNXXKHOYULSX-UHFFFAOYSA-N
XLogP3.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 4199115
N-(2-chlorophenyl)-3-(ethylsulfonylamino)benzamide
CID 36705442
3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-methylbenzamide
CID 8843971
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8843970
N-(2-chlorophenyl)-3-methylbenzamide
CID 675649
2-chloro-N-[3-[(2-chloroacetyl)amino]phenyl]acetamide
CID 3742979
3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 38171779
3-[(2-chloroacetyl)amino]benzoic acid;hydrochloride
CID 67825046
3-[[2-(2-chloroanilino)acetyl]amino]benzamide
CID 54810533
1-N-butyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide
CID 109051163
1-N-benzyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide
CID 109054143
2-[[3-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]benzoate
CID 2193068

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloroacetyl)amino]-N-(2-chlorophenyl)benzamide?
The IUPAC name of 3-[(2-chloroacetyl)amino]-N-(2-chlorophenyl)benzamide (CID 164603585) is 3-[(2-chloroacetyl)amino]-N-(2-chlorophenyl)benzamide.
What is the SMILES notation for 3-[(2-chloroacetyl)amino]-N-(2-chlorophenyl)benzamide?
The canonical SMILES for 3-[(2-chloroacetyl)amino]-N-(2-chlorophenyl)benzamide is O=C(CCl)Nc1cccc(C(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of 3-[(2-chloroacetyl)amino]-N-(2-chlorophenyl)benzamide?
The InChIKey is RCLNXXKHOYULSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2/c16-9-14(20)18-11-5-3-4-10(8-11)15(21)19-13-7-2-1-6-12(13)17/h1-8H,9H2,(H,18,20)(H,19,21).
What are the key properties of 3-[(2-chloroacetyl)amino]-N-(2-chlorophenyl)benzamide?
3-[(2-chloroacetyl)amino]-N-(2-chlorophenyl)benzamide has a molecular weight of 323.18 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloroacetyl)amino]-N-(2-chlorophenyl)benzamide is sourced from PubChem (CID 164603585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).