4-(anilinomethyl)-3-methylbenzamide

C15H16N2O — CID 114479545

IUPAC4-(anilinomethyl)-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1CNc1ccccc1
InChIInChI=1S/C15H16N2O/c1-11-9-12(15(16)18)7-8-13(11)10-17-14-5-3-2-4-6-14/h2-9,17H,10H2,1H3,(H2,16,18)
InChIKeyHXKNIGQVVQQRDA-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.71
Rot. Bonds4

About 4-(anilinomethyl)-3-methylbenzamide

4-(anilinomethyl)-3-methylbenzamide (PubChem CID 114479545) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-(anilinomethyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-(anilinomethyl)-3-methylbenzamide
PubChem CID114479545
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name4-(anilinomethyl)-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1CNc1ccccc1
InChIInChI=1S/C15H16N2O/c1-11-9-12(15(16)18)7-8-13(11)10-17-14-5-3-2-4-6-14/h2-9,17H,10H2,1H3,(H2,16,18)
InChIKeyHXKNIGQVVQQRDA-UHFFFAOYSA-N
XLogP2.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-[(3-methylanilino)methyl]benzamide
CID 114479536
4-[(3-iodoanilino)methyl]-3-methylbenzamide
CID 114479793
4-(anilinomethyl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482639
4-[[2-(methoxymethyl)anilino]methyl]-3-methylbenzamide
CID 114480071
4-[(4-cyano-2-methylphenyl)methylamino]benzamide
CID 114479640
3-methyl-4-[(phenylmethoxyamino)methyl]benzamide
CID 114480423
4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide
CID 114479983
3-[(2,4,5-trimethylphenyl)methylamino]benzamide
CID 43767609
3-methyl-4-[(propan-2-ylamino)methyl]benzamide
CID 114479524
3-methyl-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]benzamide
CID 104930123
4-[[(2-methoxyphenyl)methylamino]methyl]-3-methylbenzamide
CID 114479587
4-[(2-cyano-3-methylanilino)methyl]-3-methylbenzamide
CID 107804479

Frequently Asked Questions

What is the IUPAC name of 4-(anilinomethyl)-3-methylbenzamide?
The IUPAC name of 4-(anilinomethyl)-3-methylbenzamide (CID 114479545) is 4-(anilinomethyl)-3-methylbenzamide.
What is the SMILES notation for 4-(anilinomethyl)-3-methylbenzamide?
The canonical SMILES for 4-(anilinomethyl)-3-methylbenzamide is Cc1cc(C(N)=O)ccc1CNc1ccccc1.
What is the InChIKey of 4-(anilinomethyl)-3-methylbenzamide?
The InChIKey is HXKNIGQVVQQRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11-9-12(15(16)18)7-8-13(11)10-17-14-5-3-2-4-6-14/h2-9,17H,10H2,1H3,(H2,16,18).
What are the key properties of 4-(anilinomethyl)-3-methylbenzamide?
4-(anilinomethyl)-3-methylbenzamide has a molecular weight of 240.31 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(anilinomethyl)-3-methylbenzamide is sourced from PubChem (CID 114479545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).