N-[3-(aminomethyl)phenyl]-3-fluoro-5-methylbenzamide

C15H15FN2O — CID 112701135

IUPACN-[3-(aminomethyl)phenyl]-3-fluoro-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)Nc2cccc(CN)c2)c1
InChIInChI=1S/C15H15FN2O/c1-10-5-12(8-13(16)6-10)15(19)18-14-4-2-3-11(7-14)9-17/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyLNUBJGAKICCDIW-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.85
Rot. Bonds3

About N-[3-(aminomethyl)phenyl]-3-fluoro-5-methylbenzamide

N-[3-(aminomethyl)phenyl]-3-fluoro-5-methylbenzamide (PubChem CID 112701135) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-3-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-3-fluoro-5-methylbenzamide
PubChem CID112701135
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC NameN-[3-(aminomethyl)phenyl]-3-fluoro-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)Nc2cccc(CN)c2)c1
InChIInChI=1S/C15H15FN2O/c1-10-5-12(8-13(16)6-10)15(19)18-14-4-2-3-11(7-14)9-17/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyLNUBJGAKICCDIW-UHFFFAOYSA-N
XLogP2.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(aminomethyl)phenyl]-4-ethylbenzamide
CID 18072148
N-[3-(aminomethyl)phenyl]-3-bromo-4-fluorobenzamide
CID 103804951
N-[3-(aminomethyl)phenyl]-4-bromo-3-fluorobenzamide
CID 63254166
N-[3-(aminomethyl)phenyl]-3-hydroxybenzamide
CID 16772041
3-bromo-N-[3-(hydroxymethyl)phenyl]-5-methylbenzamide
CID 104852214
N-(4-aminophenyl)-3-fluoro-5-methylbenzamide
CID 113265229
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
3-bromo-N-[3-(ethylaminomethyl)phenyl]-5-fluorobenzamide
CID 43601129
3-(aminomethyl)-N-(3-carbamoylphenyl)benzamide
CID 102978279
1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea
CID 43245991
N-[3-[(3-fluorobenzoyl)amino]phenyl]-3-methylbenzamide
CID 46785922
N-[3-(aminomethyl)phenyl]-3-hydroxy-2-methylbenzamide
CID 82827341

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-3-fluoro-5-methylbenzamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-3-fluoro-5-methylbenzamide (CID 112701135) is N-[3-(aminomethyl)phenyl]-3-fluoro-5-methylbenzamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-3-fluoro-5-methylbenzamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-3-fluoro-5-methylbenzamide is Cc1cc(F)cc(C(=O)Nc2cccc(CN)c2)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-3-fluoro-5-methylbenzamide?
The InChIKey is LNUBJGAKICCDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-10-5-12(8-13(16)6-10)15(19)18-14-4-2-3-11(7-14)9-17/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of N-[3-(aminomethyl)phenyl]-3-fluoro-5-methylbenzamide?
N-[3-(aminomethyl)phenyl]-3-fluoro-5-methylbenzamide has a molecular weight of 258.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-3-fluoro-5-methylbenzamide is sourced from PubChem (CID 112701135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).