3-benzamido-N-(2,3-dichlorophenyl)-4-methylbenzamide

C21H16Cl2N2O2 — CID 17226451

IUPAC3-benzamido-N-(2,3-dichlorophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1NC(=O)c1ccccc1
InChIInChI=1S/C21H16Cl2N2O2/c1-13-10-11-15(21(27)24-17-9-5-8-16(22)19(17)23)12-18(13)25-20(26)14-6-3-2-4-7-14/h2-12H,1H3,(H,24,27)(H,25,26)
InChIKeyUKBMYWJNVUOLFJ-UHFFFAOYSA-N
MW399.28 g/mol
LogP5.81
Rot. Bonds4

About 3-benzamido-N-(2,3-dichlorophenyl)-4-methylbenzamide

3-benzamido-N-(2,3-dichlorophenyl)-4-methylbenzamide (PubChem CID 17226451) has the molecular formula C21H16Cl2N2O2 and a molecular weight of 399.28 g/mol. Its IUPAC name is 3-benzamido-N-(2,3-dichlorophenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-benzamido-N-(2,3-dichlorophenyl)-4-methylbenzamide
PubChem CID17226451
Molecular FormulaC21H16Cl2N2O2
Molecular Weight399.28 g/mol
Exact Mass398.06
IUPAC Name3-benzamido-N-(2,3-dichlorophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1NC(=O)c1ccccc1
InChIInChI=1S/C21H16Cl2N2O2/c1-13-10-11-15(21(27)24-17-9-5-8-16(22)19(17)23)12-18(13)25-20(26)14-6-3-2-4-7-14/h2-12H,1H3,(H,24,27)(H,25,26)
InChIKeyUKBMYWJNVUOLFJ-UHFFFAOYSA-N
XLogP5.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.28
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dichlorophenyl)-4-phenylbenzamide
CID 3094078
3-benzamido-N,4-dimethylbenzamide
CID 17226324
N-(2,3-dichlorophenyl)-4-methoxy-3-methylbenzamide
CID 18892517
3-benzamido-N-(2-cyanophenyl)-4-methylbenzamide
CID 17226453
3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide
CID 17226391
N-(3-chloro-2-methylphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 38953535
N-(2,3-dichlorophenyl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126412486
3-benzamido-N-[2-(tert-butylcarbamoyl)phenyl]-4-methylbenzamide
CID 17226566
1-N-(2,3-dichlorophenyl)-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049517
3-benzamido-4-methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 46411335
3-benzamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 55630794
N-(2-chlorophenyl)-3-methylbenzamide
CID 675649

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-(2,3-dichlorophenyl)-4-methylbenzamide?
The IUPAC name of 3-benzamido-N-(2,3-dichlorophenyl)-4-methylbenzamide (CID 17226451) is 3-benzamido-N-(2,3-dichlorophenyl)-4-methylbenzamide.
What is the SMILES notation for 3-benzamido-N-(2,3-dichlorophenyl)-4-methylbenzamide?
The canonical SMILES for 3-benzamido-N-(2,3-dichlorophenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1NC(=O)c1ccccc1.
What is the InChIKey of 3-benzamido-N-(2,3-dichlorophenyl)-4-methylbenzamide?
The InChIKey is UKBMYWJNVUOLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O2/c1-13-10-11-15(21(27)24-17-9-5-8-16(22)19(17)23)12-18(13)25-20(26)14-6-3-2-4-7-14/h2-12H,1H3,(H,24,27)(H,25,26).
What are the key properties of 3-benzamido-N-(2,3-dichlorophenyl)-4-methylbenzamide?
3-benzamido-N-(2,3-dichlorophenyl)-4-methylbenzamide has a molecular weight of 399.28 g/mol, XLogP of 5.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-(2,3-dichlorophenyl)-4-methylbenzamide is sourced from PubChem (CID 17226451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).