1-N-(2,6-dichlorophenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide

C21H16Cl2N2O2 — CID 109057070

IUPAC1-N-(2,6-dichlorophenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
SMILESCN(C(=O)c1cccc(C(=O)Nc2c(Cl)cccc2Cl)c1)c1ccccc1
InChIInChI=1S/C21H16Cl2N2O2/c1-25(16-9-3-2-4-10-16)21(27)15-8-5-7-14(13-15)20(26)24-19-17(22)11-6-12-18(19)23/h2-13H,1H3,(H,24,26)
InChIKeyIGZAPNOCYIRTNA-UHFFFAOYSA-N
MW399.28 g/mol
LogP5.52
Rot. Bonds4

About 1-N-(2,6-dichlorophenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide

1-N-(2,6-dichlorophenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide (PubChem CID 109057070) has the molecular formula C21H16Cl2N2O2 and a molecular weight of 399.28 g/mol. Its IUPAC name is 1-N-(2,6-dichlorophenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,6-dichlorophenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
PubChem CID109057070
Molecular FormulaC21H16Cl2N2O2
Molecular Weight399.28 g/mol
Exact Mass398.06
IUPAC Name1-N-(2,6-dichlorophenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
SMILESCN(C(=O)c1cccc(C(=O)Nc2c(Cl)cccc2Cl)c1)c1ccccc1
InChIInChI=1S/C21H16Cl2N2O2/c1-25(16-9-3-2-4-10-16)21(27)15-8-5-7-14(13-15)20(26)24-19-17(22)11-6-12-18(19)23/h2-13H,1H3,(H,24,26)
InChIKeyIGZAPNOCYIRTNA-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

1-N-(2,6-difluorophenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109057077
3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 109056757
1-N-(2,6-dichlorophenyl)-3-N,3-N-diethylbenzene-1,3-dicarboxamide
CID 109055921
1-N-(5-chloro-2-methoxyphenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109057036
1-N-(2,3-dichlorophenyl)-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049517
3-N-(2-chlorophenyl)-5-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109108073
N-(2,6-dichlorophenyl)-3-methylbenzamide;hydrate
CID 51058525
3-[(4-chlorophenyl)carbamoylamino]-N-methyl-N-phenylbenzamide
CID 17227739
3-N-methyl-3-N-phenyl-1-N-quinolin-8-ylbenzene-1,3-dicarboxamide
CID 109057063
3-[(2-chloro-6-methylphenyl)carbamoyl]benzoic acid
CID 66254685
3,5-dichloro-N-[4-[methyl(phenyl)carbamoyl]phenyl]benzamide
CID 17230299
(2S)-2-methyl-2-[[3-[methyl(phenyl)carbamoyl]benzoyl]amino]butanoic acid
CID 129467287

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,6-dichlorophenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(2,6-dichlorophenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide (CID 109057070) is 1-N-(2,6-dichlorophenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(2,6-dichlorophenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(2,6-dichlorophenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide is CN(C(=O)c1cccc(C(=O)Nc2c(Cl)cccc2Cl)c1)c1ccccc1.
What is the InChIKey of 1-N-(2,6-dichlorophenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide?
The InChIKey is IGZAPNOCYIRTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O2/c1-25(16-9-3-2-4-10-16)21(27)15-8-5-7-14(13-15)20(26)24-19-17(22)11-6-12-18(19)23/h2-13H,1H3,(H,24,26).
What are the key properties of 1-N-(2,6-dichlorophenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide?
1-N-(2,6-dichlorophenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide 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 1-N-(2,6-dichlorophenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109057070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).