4-chloro-1-N-[(4-chlorophenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide

C21H16Cl2N2O2 — CID 171355386

IUPAC4-chloro-1-N-[(4-chlorophenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(Cl)c(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C21H16Cl2N2O2/c22-16-9-6-14(7-10-16)13-24-20(26)15-8-11-19(23)18(12-15)21(27)25-17-4-2-1-3-5-17/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKeyBLYZMEHXTVMJQT-UHFFFAOYSA-N
MW399.28 g/mol
LogP5.18
Rot. Bonds5

About 4-chloro-1-N-[(4-chlorophenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide

4-chloro-1-N-[(4-chlorophenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide (PubChem CID 171355386) has the molecular formula C21H16Cl2N2O2 and a molecular weight of 399.28 g/mol. Its IUPAC name is 4-chloro-1-N-[(4-chlorophenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name4-chloro-1-N-[(4-chlorophenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
PubChem CID171355386
Molecular FormulaC21H16Cl2N2O2
Molecular Weight399.28 g/mol
Exact Mass398.06
IUPAC Name4-chloro-1-N-[(4-chlorophenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(Cl)c(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C21H16Cl2N2O2/c22-16-9-6-14(7-10-16)13-24-20(26)15-8-11-19(23)18(12-15)21(27)25-17-4-2-1-3-5-17/h1-12H,13H2,(H,24,26)(H,25,27)
InChIKeyBLYZMEHXTVMJQT-UHFFFAOYSA-N
XLogP5.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.28
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(benzylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 1237676
1-N-benzyl-3-N-(4-chlorophenyl)benzene-1,3-dicarboxamide
CID 109054145
1-N-benzyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109054182
N-[[4-(carbamoylamino)phenyl]methyl]-4-chlorobenzamide
CID 52552945
3-N-(4-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055212
2-N-benzyl-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109085462
N-benzyl-2-[(2-chloro-5-fluorobenzoyl)amino]pyridine-4-carboxamide
CID 67153861
N-benzyl-3,4-difluorobenzamide
CID 1294460
N-[4-(2-benzamidoethylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 121063142
1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109047359
methyl N-[4-[[(2,5-dichlorobenzoyl)amino]methyl]phenyl]carbamate
CID 47057995
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085399

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N-[(4-chlorophenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide?
The IUPAC name of 4-chloro-1-N-[(4-chlorophenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide (CID 171355386) is 4-chloro-1-N-[(4-chlorophenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 4-chloro-1-N-[(4-chlorophenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide?
The canonical SMILES for 4-chloro-1-N-[(4-chlorophenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide is O=C(NCc1ccc(Cl)cc1)c1ccc(Cl)c(C(=O)Nc2ccccc2)c1.
What is the InChIKey of 4-chloro-1-N-[(4-chlorophenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide?
The InChIKey is BLYZMEHXTVMJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O2/c22-16-9-6-14(7-10-16)13-24-20(26)15-8-11-19(23)18(12-15)21(27)25-17-4-2-1-3-5-17/h1-12H,13H2,(H,24,26)(H,25,27).
What are the key properties of 4-chloro-1-N-[(4-chlorophenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide?
4-chloro-1-N-[(4-chlorophenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide has a molecular weight of 399.28 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-N-[(4-chlorophenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 171355386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).