N-(3-formylphenyl)-4-methylbenzamide

C15H13NO2 — CID 2339361

IUPACN-(3-formylphenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(C=O)c2)cc1
InChIInChI=1S/C15H13NO2/c1-11-5-7-13(8-6-11)15(18)16-14-4-2-3-12(9-14)10-17/h2-10H,1H3,(H,16,18)
InChIKeyAIPICUWLSCQEHH-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.06
Rot. Bonds3

About N-(3-formylphenyl)-4-methylbenzamide

N-(3-formylphenyl)-4-methylbenzamide (PubChem CID 2339361) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(3-formylphenyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-formylphenyl)-4-methylbenzamide
PubChem CID2339361
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC NameN-(3-formylphenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(C=O)c2)cc1
InChIInChI=1S/C15H13NO2/c1-11-5-7-13(8-6-11)15(18)16-14-4-2-3-12(9-14)10-17/h2-10H,1H3,(H,16,18)
InChIKeyAIPICUWLSCQEHH-UHFFFAOYSA-N
XLogP3.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-diformylphenyl)-4-methylbenzamide
CID 163216310
N-(3-formylphenyl)-4-(propan-2-ylsulfonylamino)benzamide
CID 20629875
3-chloro-4-fluoro-N-(3-formylphenyl)benzamide
CID 106912747
N-(3-aminophenyl)-4-formylbenzamide
CID 57292924
4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049444
N-(3-formylphenyl)-6-methylpyridine-2-carboxamide
CID 106912611
4-methyl-N-(3-propan-2-yloxyphenyl)benzamide
CID 2989293
N-[3-[(E)-(benzenesulfonylhydrazinylidene)methyl]phenyl]-4-methylbenzamide
CID 6910126
N-[3-[(E)-3-(2-aminoanilino)-3-oxoprop-1-enyl]phenyl]-4-methylbenzamide
CID 45255726
4-methyl-N-(3-phenoxyphenyl)benzamide
CID 59304535
N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]-4-methylbenzamide
CID 46996402
4-[(3-formylbenzoyl)amino]benzoic acid
CID 90105755

Frequently Asked Questions

What is the IUPAC name of N-(3-formylphenyl)-4-methylbenzamide?
The IUPAC name of N-(3-formylphenyl)-4-methylbenzamide (CID 2339361) is N-(3-formylphenyl)-4-methylbenzamide.
What is the SMILES notation for N-(3-formylphenyl)-4-methylbenzamide?
The canonical SMILES for N-(3-formylphenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(C=O)c2)cc1.
What is the InChIKey of N-(3-formylphenyl)-4-methylbenzamide?
The InChIKey is AIPICUWLSCQEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-11-5-7-13(8-6-11)15(18)16-14-4-2-3-12(9-14)10-17/h2-10H,1H3,(H,16,18).
What are the key properties of N-(3-formylphenyl)-4-methylbenzamide?
N-(3-formylphenyl)-4-methylbenzamide has a molecular weight of 239.27 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formylphenyl)-4-methylbenzamide is sourced from PubChem (CID 2339361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).