4-amino-N-[1-(2-bromophenyl)ethyl]-3-fluorobenzamide

C15H14BrFN2O — CID 62680240

IUPAC4-amino-N-[1-(2-bromophenyl)ethyl]-3-fluorobenzamide
SMILESCC(NC(=O)c1ccc(N)c(F)c1)c1ccccc1Br
InChIInChI=1S/C15H14BrFN2O/c1-9(11-4-2-3-5-12(11)16)19-15(20)10-6-7-14(18)13(17)8-10/h2-9H,18H2,1H3,(H,19,20)
InChIKeyPFPQJVHUYVERFD-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.66
Rot. Bonds3

About 4-amino-N-[1-(2-bromophenyl)ethyl]-3-fluorobenzamide

4-amino-N-[1-(2-bromophenyl)ethyl]-3-fluorobenzamide (PubChem CID 62680240) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 4-amino-N-[1-(2-bromophenyl)ethyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-[1-(2-bromophenyl)ethyl]-3-fluorobenzamide
PubChem CID62680240
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name4-amino-N-[1-(2-bromophenyl)ethyl]-3-fluorobenzamide
SMILESCC(NC(=O)c1ccc(N)c(F)c1)c1ccccc1Br
InChIInChI=1S/C15H14BrFN2O/c1-9(11-4-2-3-5-12(11)16)19-15(20)10-6-7-14(18)13(17)8-10/h2-9H,18H2,1H3,(H,19,20)
InChIKeyPFPQJVHUYVERFD-UHFFFAOYSA-N
XLogP3.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-3-chlorobenzamide
CID 81396694
4-amino-3-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 81390616
4-amino-3-fluoro-N-[(1S)-1-phenylethyl]benzamide
CID 55251408
N-[(1S)-1-(2-bromophenyl)ethyl]-3,5-difluorobenzamide
CID 8759706
4-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 55027225
4-amino-3-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81379045
2-amino-N-[1-(2-bromophenyl)ethyl]-5-hydroxybenzamide
CID 107074317
4-amino-3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81408321
4-amino-N-[1-(2-fluorophenyl)ethyl]-3-methoxybenzamide
CID 104782521
4-amino-3-fluoro-N-[(1S)-1-(3-methylphenyl)ethyl]benzamide
CID 81360739
2-amino-4-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]benzamide
CID 81397255
N-[(1S)-1-(2-bromophenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 9220088

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2-bromophenyl)ethyl]-3-fluorobenzamide?
The IUPAC name of 4-amino-N-[1-(2-bromophenyl)ethyl]-3-fluorobenzamide (CID 62680240) is 4-amino-N-[1-(2-bromophenyl)ethyl]-3-fluorobenzamide.
What is the SMILES notation for 4-amino-N-[1-(2-bromophenyl)ethyl]-3-fluorobenzamide?
The canonical SMILES for 4-amino-N-[1-(2-bromophenyl)ethyl]-3-fluorobenzamide is CC(NC(=O)c1ccc(N)c(F)c1)c1ccccc1Br.
What is the InChIKey of 4-amino-N-[1-(2-bromophenyl)ethyl]-3-fluorobenzamide?
The InChIKey is PFPQJVHUYVERFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-9(11-4-2-3-5-12(11)16)19-15(20)10-6-7-14(18)13(17)8-10/h2-9H,18H2,1H3,(H,19,20).
What are the key properties of 4-amino-N-[1-(2-bromophenyl)ethyl]-3-fluorobenzamide?
4-amino-N-[1-(2-bromophenyl)ethyl]-3-fluorobenzamide has a molecular weight of 337.19 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2-bromophenyl)ethyl]-3-fluorobenzamide is sourced from PubChem (CID 62680240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).