4-amino-3-fluoro-N-[(1S)-1-phenylethyl]benzamide

C15H15FN2O — CID 55251408

IUPAC4-amino-3-fluoro-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(N)c(F)c1)c1ccccc1
InChIInChI=1S/C15H15FN2O/c1-10(11-5-3-2-4-6-11)18-15(19)12-7-8-14(17)13(16)9-12/h2-10H,17H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyYBMMJMRAEBMPJY-JTQLQIEISA-N
MW258.30 g/mol
LogP2.90
Rot. Bonds3

About 4-amino-3-fluoro-N-[(1S)-1-phenylethyl]benzamide

4-amino-3-fluoro-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 55251408) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-[(1S)-1-phenylethyl]benzamide
PubChem CID55251408
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name4-amino-3-fluoro-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(N)c(F)c1)c1ccccc1
InChIInChI=1S/C15H15FN2O/c1-10(11-5-3-2-4-6-11)18-15(19)12-7-8-14(17)13(16)9-12/h2-10H,17H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyYBMMJMRAEBMPJY-JTQLQIEISA-N
XLogP2.90
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 ≤ 52.90
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

3-amino-4-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 39359588
4-amino-3-fluoro-N-[(1S)-1-(3-methylphenyl)ethyl]benzamide
CID 81360739
4-amino-3-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 81404468
3,4,5-trifluoro-N-(1-phenylethyl)benzamide
CID 63188112
4-amino-N-[1-(2-bromophenyl)ethyl]-3-fluorobenzamide
CID 62680240
4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-fluorobenzamide
CID 63188927
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
4-amino-3-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 81390616
3-amino-4-bromo-N-(1-phenylethyl)benzamide
CID 61090554
4-amino-3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81408321
methyl (2S)-2-[(4-amino-3-fluorobenzoyl)amino]propanoate
CID 55159256
methyl 2,6-difluoro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate
CID 151768789

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 4-amino-3-fluoro-N-[(1S)-1-phenylethyl]benzamide (CID 55251408) is 4-amino-3-fluoro-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-[(1S)-1-phenylethyl]benzamide is C[C@H](NC(=O)c1ccc(N)c(F)c1)c1ccccc1.
What is the InChIKey of 4-amino-3-fluoro-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is YBMMJMRAEBMPJY-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15FN2O/c1-10(11-5-3-2-4-6-11)18-15(19)12-7-8-14(17)13(16)9-12/h2-10H,17H2,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of 4-amino-3-fluoro-N-[(1S)-1-phenylethyl]benzamide?
4-amino-3-fluoro-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 258.30 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 55251408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).