N-[2-(benzylcarbamoyl)-4-chlorophenyl]-2,4-dichlorobenzamide

C21H15Cl3N2O2 — CID 2192424

IUPACN-[2-(benzylcarbamoyl)-4-chlorophenyl]-2,4-dichlorobenzamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)NCc1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H15Cl3N2O2/c22-14-7-9-19(26-21(28)16-8-6-15(23)11-18(16)24)17(10-14)20(27)25-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,25,27)(H,26,28)
InChIKeyKQPJIEXZHARLSQ-UHFFFAOYSA-N
MW433.72 g/mol
LogP5.83
Rot. Bonds5

About N-[2-(benzylcarbamoyl)-4-chlorophenyl]-2,4-dichlorobenzamide

N-[2-(benzylcarbamoyl)-4-chlorophenyl]-2,4-dichlorobenzamide (PubChem CID 2192424) has the molecular formula C21H15Cl3N2O2 and a molecular weight of 433.72 g/mol. Its IUPAC name is N-[2-(benzylcarbamoyl)-4-chlorophenyl]-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-(benzylcarbamoyl)-4-chlorophenyl]-2,4-dichlorobenzamide
PubChem CID2192424
Molecular FormulaC21H15Cl3N2O2
Molecular Weight433.72 g/mol
Exact Mass432.02
IUPAC NameN-[2-(benzylcarbamoyl)-4-chlorophenyl]-2,4-dichlorobenzamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)NCc1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H15Cl3N2O2/c22-14-7-9-19(26-21(28)16-8-6-15(23)11-18(16)24)17(10-14)20(27)25-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,25,27)(H,26,28)
InChIKeyKQPJIEXZHARLSQ-UHFFFAOYSA-N
XLogP5.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.72
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(benzylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 1237676
2,4-dichloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]benzamide
CID 4029873
2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311480
5-N-benzyl-3-N-(2,4-dichlorophenyl)-1H-pyrazole-3,5-dicarboxamide
CID 58810330
2,4-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 4938422
N-[(3-aminophenyl)methyl]-2,4-dichlorobenzamide
CID 62499455
2,4-dichloro-N-[(3-fluorophenyl)methyl]benzamide
CID 127502749
2,4-dichloro-N-[2-(chloromethyl)phenyl]benzamide
CID 114298395
N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide
CID 62502829
1-N-benzyl-4-chloro-6-fluoro-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 171345378
2,4-dichloro-N-[(3,5-difluorophenyl)methyl]benzamide
CID 37391840
N-[2-(butylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 17256470

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylcarbamoyl)-4-chlorophenyl]-2,4-dichlorobenzamide?
The IUPAC name of N-[2-(benzylcarbamoyl)-4-chlorophenyl]-2,4-dichlorobenzamide (CID 2192424) is N-[2-(benzylcarbamoyl)-4-chlorophenyl]-2,4-dichlorobenzamide.
What is the SMILES notation for N-[2-(benzylcarbamoyl)-4-chlorophenyl]-2,4-dichlorobenzamide?
The canonical SMILES for N-[2-(benzylcarbamoyl)-4-chlorophenyl]-2,4-dichlorobenzamide is O=C(Nc1ccc(Cl)cc1C(=O)NCc1ccccc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(benzylcarbamoyl)-4-chlorophenyl]-2,4-dichlorobenzamide?
The InChIKey is KQPJIEXZHARLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl3N2O2/c22-14-7-9-19(26-21(28)16-8-6-15(23)11-18(16)24)17(10-14)20(27)25-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,25,27)(H,26,28).
What are the key properties of N-[2-(benzylcarbamoyl)-4-chlorophenyl]-2,4-dichlorobenzamide?
N-[2-(benzylcarbamoyl)-4-chlorophenyl]-2,4-dichlorobenzamide has a molecular weight of 433.72 g/mol, XLogP of 5.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylcarbamoyl)-4-chlorophenyl]-2,4-dichlorobenzamide is sourced from PubChem (CID 2192424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).