3-[formyl(methyl)amino]-N-(4-formylphenyl)benzamide

C16H14N2O3 — CID 145184822

IUPAC3-[formyl(methyl)amino]-N-(4-formylphenyl)benzamide
SMILESCN(C=O)c1cccc(C(=O)Nc2ccc(C=O)cc2)c1
InChIInChI=1S/C16H14N2O3/c1-18(11-20)15-4-2-3-13(9-15)16(21)17-14-7-5-12(10-19)6-8-14/h2-11H,1H3,(H,17,21)
InChIKeyHOJROFKYOJWFNY-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.34
Rot. Bonds5

About 3-[formyl(methyl)amino]-N-(4-formylphenyl)benzamide

3-[formyl(methyl)amino]-N-(4-formylphenyl)benzamide (PubChem CID 145184822) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-[formyl(methyl)amino]-N-(4-formylphenyl)benzamide.

Molecular Properties

Compound Name3-[formyl(methyl)amino]-N-(4-formylphenyl)benzamide
PubChem CID145184822
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name3-[formyl(methyl)amino]-N-(4-formylphenyl)benzamide
SMILESCN(C=O)c1cccc(C(=O)Nc2ccc(C=O)cc2)c1
InChIInChI=1S/C16H14N2O3/c1-18(11-20)15-4-2-3-13(9-15)16(21)17-14-7-5-12(10-19)6-8-14/h2-11H,1H3,(H,17,21)
InChIKeyHOJROFKYOJWFNY-UHFFFAOYSA-N
XLogP2.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-N-(4-formylphenyl)benzamide
CID 106912114
3-[(4-formylphenyl)carbamoyl]benzoic acid;methanol
CID 143557011
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
N-[4-(diethylamino)phenyl]-3-(dimethylamino)benzamide
CID 8761945
N-(4-bromophenyl)-3-(dimethylamino)benzamide
CID 690521
N-(4-formylphenyl)naphthalene-2-carboxamide
CID 87842384
4-[(3-formylbenzoyl)amino]benzoic acid
CID 90105755
4-N-[4-[(4-formylbenzoyl)amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide
CID 144544171
3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 109056757
N-(4-carbamothioylphenyl)-3-(dimethylamino)benzamide
CID 43329185
N-[3-[formyl(methyl)amino]phenyl]-N-methylformamide
CID 134105298
N-(4-formylphenyl)-3,4-dimethoxybenzamide
CID 106912264

Frequently Asked Questions

What is the IUPAC name of 3-[formyl(methyl)amino]-N-(4-formylphenyl)benzamide?
The IUPAC name of 3-[formyl(methyl)amino]-N-(4-formylphenyl)benzamide (CID 145184822) is 3-[formyl(methyl)amino]-N-(4-formylphenyl)benzamide.
What is the SMILES notation for 3-[formyl(methyl)amino]-N-(4-formylphenyl)benzamide?
The canonical SMILES for 3-[formyl(methyl)amino]-N-(4-formylphenyl)benzamide is CN(C=O)c1cccc(C(=O)Nc2ccc(C=O)cc2)c1.
What is the InChIKey of 3-[formyl(methyl)amino]-N-(4-formylphenyl)benzamide?
The InChIKey is HOJROFKYOJWFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-18(11-20)15-4-2-3-13(9-15)16(21)17-14-7-5-12(10-19)6-8-14/h2-11H,1H3,(H,17,21).
What are the key properties of 3-[formyl(methyl)amino]-N-(4-formylphenyl)benzamide?
3-[formyl(methyl)amino]-N-(4-formylphenyl)benzamide has a molecular weight of 282.30 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[formyl(methyl)amino]-N-(4-formylphenyl)benzamide is sourced from PubChem (CID 145184822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).