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

C21H16Cl2N2O2 — CID 17230299

IUPAC3,5-dichloro-N-[4-[methyl(phenyl)carbamoyl]phenyl]benzamide
SMILESCN(C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1ccccc1
InChIInChI=1S/C21H16Cl2N2O2/c1-25(19-5-3-2-4-6-19)21(27)14-7-9-18(10-8-14)24-20(26)15-11-16(22)13-17(23)12-15/h2-13H,1H3,(H,24,26)
InChIKeyILQZHJLANFHBGQ-UHFFFAOYSA-N
MW399.28 g/mol
LogP5.52
Rot. Bonds4

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

3,5-dichloro-N-[4-[methyl(phenyl)carbamoyl]phenyl]benzamide (PubChem CID 17230299) has the molecular formula C21H16Cl2N2O2 and a molecular weight of 399.28 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-[methyl(phenyl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-[methyl(phenyl)carbamoyl]phenyl]benzamide
PubChem CID17230299
Molecular FormulaC21H16Cl2N2O2
Molecular Weight399.28 g/mol
Exact Mass398.06
IUPAC Name3,5-dichloro-N-[4-[methyl(phenyl)carbamoyl]phenyl]benzamide
SMILESCN(C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1ccccc1
InChIInChI=1S/C21H16Cl2N2O2/c1-25(19-5-3-2-4-6-19)21(27)14-7-9-18(10-8-14)24-20(26)15-11-16(22)13-17(23)12-15/h2-13H,1H3,(H,24,26)
InChIKeyILQZHJLANFHBGQ-UHFFFAOYSA-N
XLogP5.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.28
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-N-[4-(N-methylanilino)phenyl]benzamide
CID 22886497
3,5-dichloro-N-methyl-N-phenylbenzamide;ethane
CID 156791859
N-[4-[methyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 17230224
4-acetamido-N-methyl-N-phenylbenzamide
CID 669468
3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 109056757
3-chloro-N-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide
CID 17230427
N-(4-anilinophenyl)-3,5-dichlorobenzamide
CID 17133461
4-N-(4-chlorophenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091489
3,5-dichloro-N-(4-chlorophenyl)benzamide
CID 3382216
2,4-dichloro-N-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide
CID 17230375
3,5-dichloro-N-[4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]phenyl]benzamide
CID 55638128
3,5-dichloro-N-[4-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]phenyl]benzamide
CID 55638196

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-[methyl(phenyl)carbamoyl]phenyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[4-[methyl(phenyl)carbamoyl]phenyl]benzamide (CID 17230299) is 3,5-dichloro-N-[4-[methyl(phenyl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[4-[methyl(phenyl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[4-[methyl(phenyl)carbamoyl]phenyl]benzamide is CN(C(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)c1ccccc1.
What is the InChIKey of 3,5-dichloro-N-[4-[methyl(phenyl)carbamoyl]phenyl]benzamide?
The InChIKey is ILQZHJLANFHBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O2/c1-25(19-5-3-2-4-6-19)21(27)14-7-9-18(10-8-14)24-20(26)15-11-16(22)13-17(23)12-15/h2-13H,1H3,(H,24,26).
What are the key properties of 3,5-dichloro-N-[4-[methyl(phenyl)carbamoyl]phenyl]benzamide?
3,5-dichloro-N-[4-[methyl(phenyl)carbamoyl]phenyl]benzamide has a molecular weight of 399.28 g/mol, XLogP of 5.52, 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-[methyl(phenyl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 17230299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).