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

C15H14BrFN2O — CID 107956077

IUPACN-[[2-(aminomethyl)phenyl]methyl]-3-bromo-2-fluorobenzamide
SMILESNCc1ccccc1CNC(=O)c1cccc(Br)c1F
InChIInChI=1S/C15H14BrFN2O/c16-13-7-3-6-12(14(13)17)15(20)19-9-11-5-2-1-4-10(11)8-18/h1-7H,8-9,18H2,(H,19,20)
InChIKeyRGEZXDAGGWLELH-UHFFFAOYSA-N
MW337.19 g/mol
LogP2.98
Rot. Bonds4

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

N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-2-fluorobenzamide (PubChem CID 107956077) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-3-bromo-2-fluorobenzamide
PubChem CID107956077
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-3-bromo-2-fluorobenzamide
SMILESNCc1ccccc1CNC(=O)c1cccc(Br)c1F
InChIInChI=1S/C15H14BrFN2O/c16-13-7-3-6-12(14(13)17)15(20)19-9-11-5-2-1-4-10(11)8-18/h1-7H,8-9,18H2,(H,19,20)
InChIKeyRGEZXDAGGWLELH-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzamide
CID 114374315
N-[[2-(aminomethyl)phenyl]methyl]-2-chloro-3-fluorobenzamide
CID 81461744
N-[(2-bromophenyl)methyl]-2-fluorobenzamide
CID 17173440
N-[[2-(aminomethyl)phenyl]methyl]-2-bromo-5-methoxybenzamide
CID 62951377
N-[[2-(aminomethyl)phenyl]methyl]-3,4,5-trifluorobenzamide
CID 63186443
N-(3-amino-2,2-difluoropropyl)-3-bromo-2-fluorobenzamide
CID 107956309
N-(3-amino-3-oxopropyl)-3-bromo-2-fluorobenzamide
CID 106548051
N-[[2-(aminomethyl)phenyl]methyl]-5-fluoro-2-hydroxybenzamide
CID 115299371
N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromothiophene-3-carboxamide
CID 103806244
N-[[2-(aminomethyl)phenyl]methyl]-4-chloro-2,5-difluorobenzamide
CID 82771924
3-bromo-2-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 106544257
2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 62649874

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-2-fluorobenzamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-2-fluorobenzamide (CID 107956077) is N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-2-fluorobenzamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-2-fluorobenzamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-2-fluorobenzamide is NCc1ccccc1CNC(=O)c1cccc(Br)c1F.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-2-fluorobenzamide?
The InChIKey is RGEZXDAGGWLELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c16-13-7-3-6-12(14(13)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]-3-bromo-2-fluorobenzamide?
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-2-fluorobenzamide has a molecular weight of 337.19 g/mol, XLogP of 2.98, 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]-3-bromo-2-fluorobenzamide is sourced from PubChem (CID 107956077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).