N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-3-fluorobenzamide

C15H14ClFN2O — CID 81461744

IUPACN-[[2-(aminomethyl)phenyl]methyl]-2-chloro-3-fluorobenzamide
SMILESNCc1ccccc1CNC(=O)c1cccc(F)c1Cl
InChIInChI=1S/C15H14ClFN2O/c16-14-12(6-3-7-13(14)17)15(20)19-9-11-5-2-1-4-10(11)8-18/h1-7H,8-9,18H2,(H,19,20)
InChIKeyLJVJCZJLEPEOJC-UHFFFAOYSA-N
MW292.74 g/mol
LogP2.87
Rot. Bonds4

About N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-3-fluorobenzamide

N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-3-fluorobenzamide (PubChem CID 81461744) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-3-fluorobenzamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-2-chloro-3-fluorobenzamide
PubChem CID81461744
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-2-chloro-3-fluorobenzamide
SMILESNCc1ccccc1CNC(=O)c1cccc(F)c1Cl
InChIInChI=1S/C15H14ClFN2O/c16-14-12(6-3-7-13(14)17)15(20)19-9-11-5-2-1-4-10(11)8-18/h1-7H,8-9,18H2,(H,19,20)
InChIKeyLJVJCZJLEPEOJC-UHFFFAOYSA-N
XLogP2.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-4-chloro-2,5-difluorobenzamide
CID 82771924
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-2-fluorobenzamide
CID 107956077
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
N-[[2-(aminomethyl)phenyl]methyl]-3,4,5-trifluorobenzamide
CID 63186443
N-[[2-(aminomethyl)phenyl]methyl]-5-fluoro-2-hydroxybenzamide
CID 115299371
3-fluoro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide
CID 62660803
N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-4-methylbenzamide
CID 106862102
2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 62649874
N-[[2-(aminomethyl)phenyl]methyl]-2-nitrobenzamide
CID 62951005
5-amino-2,3-dichloro-N-[(2-fluorophenyl)methyl]benzamide
CID 107183203
2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid
CID 43397101
2-chloro-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
CID 83030652

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-3-fluorobenzamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-3-fluorobenzamide (CID 81461744) is N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-3-fluorobenzamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-3-fluorobenzamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-3-fluorobenzamide is NCc1ccccc1CNC(=O)c1cccc(F)c1Cl.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-3-fluorobenzamide?
The InChIKey is LJVJCZJLEPEOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c16-14-12(6-3-7-13(14)17)15(20)19-9-11-5-2-1-4-10(11)8-18/h1-7H,8-9,18H2,(H,19,20).
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-3-fluorobenzamide?
N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-3-fluorobenzamide has a molecular weight of 292.74 g/mol, XLogP of 2.87, 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-3-fluorobenzamide is sourced from PubChem (CID 81461744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).