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

C15H15FN2O — CID 39359588

IUPAC3-amino-4-fluoro-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(F)c(N)c1)c1ccccc1
InChIInChI=1S/C15H15FN2O/c1-10(11-5-3-2-4-6-11)18-15(19)12-7-8-13(16)14(17)9-12/h2-10H,17H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyUBCBVOMSYBSRFS-SNVBAGLBSA-N
MW258.30 g/mol
LogP2.90
Rot. Bonds3

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

3-amino-4-fluoro-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 39359588) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-[(1R)-1-phenylethyl]benzamide
PubChem CID39359588
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name3-amino-4-fluoro-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(F)c(N)c1)c1ccccc1
InChIInChI=1S/C15H15FN2O/c1-10(11-5-3-2-4-6-11)18-15(19)12-7-8-13(16)14(17)9-12/h2-10H,17H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyUBCBVOMSYBSRFS-SNVBAGLBSA-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

4-amino-3-fluoro-N-[(1S)-1-phenylethyl]benzamide
CID 55251408
3-amino-4-bromo-N-(1-phenylethyl)benzamide
CID 61090554
3,4,5-trifluoro-N-(1-phenylethyl)benzamide
CID 63188112
4-fluoro-3-(methanesulfonamido)-N-[(1R)-1-phenylethyl]benzamide
CID 95153058
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
4-amino-3-fluoro-N-[(1S)-1-(3-methylphenyl)ethyl]benzamide
CID 81360739
3-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 81366044
4-amino-N-[1-(4-chlorophenyl)ethyl]-3-methylbenzamide
CID 61117490
2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 113233055
3-amino-4-fluoro-N-(3-propan-2-ylphenyl)benzamide
CID 43436989
4-amino-3-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 81404468

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 3-amino-4-fluoro-N-[(1R)-1-phenylethyl]benzamide (CID 39359588) is 3-amino-4-fluoro-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 3-amino-4-fluoro-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 3-amino-4-fluoro-N-[(1R)-1-phenylethyl]benzamide is C[C@@H](NC(=O)c1ccc(F)c(N)c1)c1ccccc1.
What is the InChIKey of 3-amino-4-fluoro-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is UBCBVOMSYBSRFS-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-10(11-5-3-2-4-6-11)18-15(19)12-7-8-13(16)14(17)9-12/h2-10H,17H2,1H3,(H,18,19)/t10-/m1/s1.
What are the key properties of 3-amino-4-fluoro-N-[(1R)-1-phenylethyl]benzamide?
3-amino-4-fluoro-N-[(1R)-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 3-amino-4-fluoro-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 39359588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).