N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-4-methylbenzamide

C16H17ClN2O — CID 106862102

IUPACN-[[2-(aminomethyl)phenyl]methyl]-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccccc2CN)c(Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-11-6-7-14(15(17)8-11)16(20)19-10-13-5-3-2-4-12(13)9-18/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyGNJRMYZARJPROH-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.04
Rot. Bonds4

About N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-4-methylbenzamide

N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-4-methylbenzamide (PubChem CID 106862102) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-2-chloro-4-methylbenzamide
PubChem CID106862102
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccccc2CN)c(Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-11-6-7-14(15(17)8-11)16(20)19-10-13-5-3-2-4-12(13)9-18/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyGNJRMYZARJPROH-UHFFFAOYSA-N
XLogP3.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-aminophenyl)methyl]-2-chloro-4-methylbenzamide
CID 106860403
2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 99835975
N-[[2-(aminomethyl)phenyl]methyl]-4-chloro-2,5-difluorobenzamide
CID 82771924
N-(2-aminopropyl)-2-chloro-4-methylbenzamide
CID 106862152
N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylbenzamide
CID 79791419
N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzamide
CID 114374315
N-[(2-chlorophenyl)methyl]-5-methyl-2-(methylamino)benzamide
CID 62510687
N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-3-fluorobenzamide
CID 81461744
2-chloro-N,4-dimethylbenzamide;ethane
CID 143942674
N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4-methylbenzamide
CID 106509697
N-[(2-hydroxyphenyl)methyl]-2,5-dimethylbenzamide
CID 115598856
4-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide
CID 28748811

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-4-methylbenzamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-4-methylbenzamide (CID 106862102) is N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-4-methylbenzamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-4-methylbenzamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-4-methylbenzamide is Cc1ccc(C(=O)NCc2ccccc2CN)c(Cl)c1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-4-methylbenzamide?
The InChIKey is GNJRMYZARJPROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11-6-7-14(15(17)8-11)16(20)19-10-13-5-3-2-4-12(13)9-18/h2-8H,9-10,18H2,1H3,(H,19,20).
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-4-methylbenzamide?
N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-4-methylbenzamide has a molecular weight of 288.78 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-4-methylbenzamide is sourced from PubChem (CID 106862102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).