N-(3,5-dimethylphenyl)-4-formamidobenzamide

C16H16N2O2 — CID 168654127

IUPACN-(3,5-dimethylphenyl)-4-formamidobenzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(NC=O)cc2)c1
InChIInChI=1S/C16H16N2O2/c1-11-7-12(2)9-15(8-11)18-16(20)13-3-5-14(6-4-13)17-10-19/h3-10H,1-2H3,(H,17,19)(H,18,20)
InChIKeyNPIXEAZEXGQYSR-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.12
Rot. Bonds4

About N-(3,5-dimethylphenyl)-4-formamidobenzamide

N-(3,5-dimethylphenyl)-4-formamidobenzamide (PubChem CID 168654127) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-formamidobenzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-formamidobenzamide
PubChem CID168654127
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-(3,5-dimethylphenyl)-4-formamidobenzamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(NC=O)cc2)c1
InChIInChI=1S/C16H16N2O2/c1-11-7-12(2)9-15(8-11)18-16(20)13-3-5-14(6-4-13)17-10-19/h3-10H,1-2H3,(H,17,19)(H,18,20)
InChIKeyNPIXEAZEXGQYSR-UHFFFAOYSA-N
XLogP3.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049661
4-(carbamoylamino)-N-(3,5-dimethylphenyl)benzamide
CID 26016677
N-(4-formamidophenyl)-3-methylbenzamide
CID 168653169
N-(4-fluorophenyl)-4-formamidobenzamide
CID 168651892
N-(3,5-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 51179788
4-[(2-cyanoacetyl)amino]-N-(3,5-dimethylphenyl)benzamide
CID 168521355
N-(3,5-dimethylphenyl)-4-nitrobenzamide
CID 2843294
N-(3,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309070
N-(3,5-diformylphenyl)-4-methylbenzamide
CID 163216310
N-(3,5-dimethylphenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651159
3-bromo-4-chloro-N-(3,5-dimethylphenyl)benzamide
CID 107999218
N-(3-bromo-5-methylphenyl)-4-tert-butylbenzamide
CID 84512530

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-formamidobenzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-formamidobenzamide (CID 168654127) is N-(3,5-dimethylphenyl)-4-formamidobenzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-formamidobenzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-formamidobenzamide is Cc1cc(C)cc(NC(=O)c2ccc(NC=O)cc2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-formamidobenzamide?
The InChIKey is NPIXEAZEXGQYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11-7-12(2)9-15(8-11)18-16(20)13-3-5-14(6-4-13)17-10-19/h3-10H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-(3,5-dimethylphenyl)-4-formamidobenzamide?
N-(3,5-dimethylphenyl)-4-formamidobenzamide has a molecular weight of 268.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-formamidobenzamide is sourced from PubChem (CID 168654127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).