3,5-dichloro-N-[4-(4-chlorobenzoyl)phenyl]benzamide

C20H12Cl3NO2 — CID 14146500

IUPAC3,5-dichloro-N-[4-(4-chlorobenzoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H12Cl3NO2/c21-15-5-1-12(2-6-15)19(25)13-3-7-18(8-4-13)24-20(26)14-9-16(22)11-17(23)10-14/h1-11H,(H,24,26)
InChIKeyQAMNYSZLGQKNTL-UHFFFAOYSA-N
MW404.68 g/mol
LogP6.13
Rot. Bonds4

About 3,5-dichloro-N-[4-(4-chlorobenzoyl)phenyl]benzamide

3,5-dichloro-N-[4-(4-chlorobenzoyl)phenyl]benzamide (PubChem CID 14146500) has the molecular formula C20H12Cl3NO2 and a molecular weight of 404.68 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-(4-chlorobenzoyl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-(4-chlorobenzoyl)phenyl]benzamide
PubChem CID14146500
Molecular FormulaC20H12Cl3NO2
Molecular Weight404.68 g/mol
Exact Mass402.99
IUPAC Name3,5-dichloro-N-[4-(4-chlorobenzoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H12Cl3NO2/c21-15-5-1-12(2-6-15)19(25)13-3-7-18(8-4-13)24-20(26)14-9-16(22)11-17(23)10-14/h1-11H,(H,24,26)
InChIKeyQAMNYSZLGQKNTL-UHFFFAOYSA-N
XLogP6.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.68
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-N-(4-chlorophenyl)benzamide
CID 3382216
3,5-dichloro-N-[4-[[4-[(3,5-dichlorobenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 3995292
N-(4-anilinophenyl)-3,5-dichlorobenzamide
CID 17133461
3,5-dichloro-N-[4-(2-hydroxyethylcarbamoyl)phenyl]benzamide
CID 78862424
N-(4-chlorophenyl)-4-(methylamino)benzamide
CID 62166017
3,5-dichloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 26167664
4-chloro-N-[4-(4-chlorophenyl)sulfanylphenyl]benzamide
CID 12734406
N-(4-chlorophenyl)-4-[(E)-2-[4-[(4-chlorophenyl)carbamoyl]phenyl]ethenyl]benzamide
CID 134119182
3-amino-N-(4-chlorophenyl)-4-fluorobenzamide
CID 39364346
3,5-dichloro-N-[4-[methyl(phenyl)carbamoyl]phenyl]benzamide
CID 17230299
N-[4-(butan-2-ylcarbamoyl)phenyl]-3,5-dichlorobenzamide
CID 17201359
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-(4-chlorobenzoyl)phenyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[4-(4-chlorobenzoyl)phenyl]benzamide (CID 14146500) is 3,5-dichloro-N-[4-(4-chlorobenzoyl)phenyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[4-(4-chlorobenzoyl)phenyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[4-(4-chlorobenzoyl)phenyl]benzamide is O=C(Nc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[4-(4-chlorobenzoyl)phenyl]benzamide?
The InChIKey is QAMNYSZLGQKNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl3NO2/c21-15-5-1-12(2-6-15)19(25)13-3-7-18(8-4-13)24-20(26)14-9-16(22)11-17(23)10-14/h1-11H,(H,24,26).
What are the key properties of 3,5-dichloro-N-[4-(4-chlorobenzoyl)phenyl]benzamide?
3,5-dichloro-N-[4-(4-chlorobenzoyl)phenyl]benzamide has a molecular weight of 404.68 g/mol, XLogP of 6.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[4-(4-chlorobenzoyl)phenyl]benzamide is sourced from PubChem (CID 14146500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).