1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide

C16H16N2O2 — CID 58018070

IUPAC1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
SMILESCNC(=O)c1cccc(C(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C16H16N2O2/c1-11-5-3-8-14(9-11)18-16(20)13-7-4-6-12(10-13)15(19)17-2/h3-10H,1-2H3,(H,17,19)(H,18,20)
InChIKeyZMHQCBAWLXLRQF-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.61
Rot. Bonds3

About 1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide

1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide (PubChem CID 58018070) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
PubChem CID58018070
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
SMILESCNC(=O)c1cccc(C(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C16H16N2O2/c1-11-5-3-8-14(9-11)18-16(20)13-7-4-6-12(10-13)15(19)17-2/h3-10H,1-2H3,(H,17,19)(H,18,20)
InChIKeyZMHQCBAWLXLRQF-UHFFFAOYSA-N
XLogP2.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-methylphenyl)carbamoyl]benzoyl chloride
CID 101097986
3-N-tert-butyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109055991
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081
N-(3-methylphenyl)-3-(phenylcarbamothioylamino)benzamide
CID 26164526
3-N-(3-methylphenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109056925
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
N-[3-[(3-fluorobenzoyl)amino]phenyl]-3-methylbenzamide
CID 46785922
3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109056943
3-N-(2-cyanophenyl)-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109056947
N-(3-chloro-4-methylphenyl)-3-methylbenzamide
CID 710448
3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197365

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide (CID 58018070) is 1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide is CNC(=O)c1cccc(C(=O)Nc2cccc(C)c2)c1.
What is the InChIKey of 1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is ZMHQCBAWLXLRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11-5-3-8-14(9-11)18-16(20)13-7-4-6-12(10-13)15(19)17-2/h3-10H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide?
1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 58018070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).