1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide

C22H18Cl2N2O2 — CID 4179240

IUPAC1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide
SMILESCc1ccc(Cl)c(NC(=O)c2cccc(C(=O)Nc3cc(C)ccc3Cl)c2)c1
InChIInChI=1S/C22H18Cl2N2O2/c1-13-6-8-17(23)19(10-13)25-21(27)15-4-3-5-16(12-15)22(28)26-20-11-14(2)7-9-18(20)24/h3-12H,1-2H3,(H,25,27)(H,26,28)
InChIKeyCVFBHSXNXDRDRM-UHFFFAOYSA-N
MW413.30 g/mol
LogP6.11
Rot. Bonds4

About 1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide

1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide (PubChem CID 4179240) has the molecular formula C22H18Cl2N2O2 and a molecular weight of 413.30 g/mol. Its IUPAC name is 1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide
PubChem CID4179240
Molecular FormulaC22H18Cl2N2O2
Molecular Weight413.30 g/mol
Exact Mass412.07
IUPAC Name1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide
SMILESCc1ccc(Cl)c(NC(=O)c2cccc(C(=O)Nc3cc(C)ccc3Cl)c2)c1
InChIInChI=1S/C22H18Cl2N2O2/c1-13-6-8-17(23)19(10-13)25-21(27)15-4-3-5-16(12-15)22(28)26-20-11-14(2)7-9-18(20)24/h3-12H,1-2H3,(H,25,27)(H,26,28)
InChIKeyCVFBHSXNXDRDRM-UHFFFAOYSA-N
XLogP6.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.30
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-5-methylphenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 107637344
N-(2-chloro-5-methylphenyl)-3,4-dihydroxybenzamide
CID 103957548
N-(2-chloro-5-methylphenyl)-2,6-dihydroxybenzamide
CID 107689718
N-(2-chlorophenyl)-3-methylbenzamide
CID 675649
3-(3-aminoprop-1-ynyl)-N-(2-chloro-5-methylphenyl)benzamide
CID 107629755
N-(2-chloro-5-methylsulfonylphenyl)-3-methylbenzamide
CID 8913728
4-amino-N-(2-chloro-5-methylphenyl)-3-hydroxybenzamide
CID 107624052
4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide
CID 102504215
N-(2-chloro-5-methylphenyl)-2-hydroxybenzamide
CID 103769569
6-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-carboxamide
CID 103769566
N-(2-chloro-5-methylphenyl)-4-(ethylamino)-3-methylbenzamide
CID 107631262
3-[(2-hydroxy-5-methylphenyl)carbamoyl]benzoic acid
CID 75465271

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide (CID 4179240) is 1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide is Cc1ccc(Cl)c(NC(=O)c2cccc(C(=O)Nc3cc(C)ccc3Cl)c2)c1.
What is the InChIKey of 1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is CVFBHSXNXDRDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O2/c1-13-6-8-17(23)19(10-13)25-21(27)15-4-3-5-16(12-15)22(28)26-20-11-14(2)7-9-18(20)24/h3-12H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide?
1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 413.30 g/mol, XLogP of 6.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 4179240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).