3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide

C21H18N2O2 — CID 109056757

IUPAC3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
SMILESCN(C(=O)c1cccc(C(=O)Nc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C21H18N2O2/c1-23(19-13-6-3-7-14-19)21(25)17-10-8-9-16(15-17)20(24)22-18-11-4-2-5-12-18/h2-15H,1H3,(H,22,24)
InChIKeyCSJJNAXDGOPOHW-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.22
Rot. Bonds4

About 3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide

3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide (PubChem CID 109056757) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
PubChem CID109056757
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
SMILESCN(C(=O)c1cccc(C(=O)Nc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C21H18N2O2/c1-23(19-13-6-3-7-14-19)21(25)17-10-8-9-16(15-17)20(24)22-18-11-4-2-5-12-18/h2-15H,1H3,(H,22,24)
InChIKeyCSJJNAXDGOPOHW-UHFFFAOYSA-N
XLogP4.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(2,6-dichlorophenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109057070
1-N-(2,6-difluorophenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109057077
methyl 4-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 17227914
3-[(4-methoxybenzoyl)amino]-N-methyl-N-phenylbenzamide
CID 17227750
3-methyl-N-[4-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54840259
N-[4-[methyl(phenyl)carbamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17230251
3-[(4-chlorophenyl)carbamoylamino]-N-methyl-N-phenylbenzamide
CID 17227739
3-[amino-[3-[[3-[amino(phenyl)carbamoyl]benzoyl]amino]phenyl]carbamoyl]-N-phenylbenzamide
CID 123571630
3,5-dichloro-N-[4-[methyl(phenyl)carbamoyl]phenyl]benzamide
CID 17230299
3-methoxy-N-[4-(N-methylanilino)phenyl]benzamide
CID 112986095
N-[4-[methyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 17230224
3-N-methyl-3-N-phenyl-1-N-quinolin-8-ylbenzene-1,3-dicarboxamide
CID 109057063

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide (CID 109056757) is 3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide is CN(C(=O)c1cccc(C(=O)Nc2ccccc2)c1)c1ccccc1.
What is the InChIKey of 3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide?
The InChIKey is CSJJNAXDGOPOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-23(19-13-6-3-7-14-19)21(25)17-10-8-9-16(15-17)20(24)22-18-11-4-2-5-12-18/h2-15H,1H3,(H,22,24).
What are the key properties of 3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide?
3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide has a molecular weight of 330.39 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109056757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).