1-N-[2-(4-chlorophenyl)ethyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide

C23H21ClN2O2 — CID 109055685

IUPAC1-N-[2-(4-chlorophenyl)ethyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide
SMILESCc1ccccc1NC(=O)c1cccc(C(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C23H21ClN2O2/c1-16-5-2-3-8-21(16)26-23(28)19-7-4-6-18(15-19)22(27)25-14-13-17-9-11-20(24)12-10-17/h2-12,15H,13-14H2,1H3,(H,25,27)(H,26,28)
InChIKeyODGSRMZZATWVDQ-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.87
Rot. Bonds6

About 1-N-[2-(4-chlorophenyl)ethyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide

1-N-[2-(4-chlorophenyl)ethyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide (PubChem CID 109055685) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is 1-N-[2-(4-chlorophenyl)ethyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(4-chlorophenyl)ethyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide
PubChem CID109055685
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC Name1-N-[2-(4-chlorophenyl)ethyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide
SMILESCc1ccccc1NC(=O)c1cccc(C(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C23H21ClN2O2/c1-16-5-2-3-8-21(16)26-23(28)19-7-4-6-18(15-19)22(27)25-14-13-17-9-11-20(24)12-10-17/h2-12,15H,13-14H2,1H3,(H,25,27)(H,26,28)
InChIKeyODGSRMZZATWVDQ-UHFFFAOYSA-N
XLogP4.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(2-methylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055274
1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109047991
N-[2-(4-chlorophenyl)ethyl]-3-iodobenzamide
CID 9217649
1-N-[2-(4-chlorophenyl)ethyl]-3-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050914
1-N-butyl-3-N-(4-chloro-2-methylphenyl)benzene-1,3-dicarboxamide
CID 109051168
3-benzamido-4-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 46410067
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
3-N-(2-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055185
2-N-[(4-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109086762
4-[2-(4-chlorophenyl)ethylamino]-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109215473
3-N-[2-(2-fluorophenyl)ethyl]-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109106318

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-chlorophenyl)ethyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[2-(4-chlorophenyl)ethyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide (CID 109055685) is 1-N-[2-(4-chlorophenyl)ethyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[2-(4-chlorophenyl)ethyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[2-(4-chlorophenyl)ethyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide is Cc1ccccc1NC(=O)c1cccc(C(=O)NCCc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-N-[2-(4-chlorophenyl)ethyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is ODGSRMZZATWVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c1-16-5-2-3-8-21(16)26-23(28)19-7-4-6-18(15-19)22(27)25-14-13-17-9-11-20(24)12-10-17/h2-12,15H,13-14H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 1-N-[2-(4-chlorophenyl)ethyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide?
1-N-[2-(4-chlorophenyl)ethyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 392.89 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(4-chlorophenyl)ethyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109055685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).