2-amino-4-fluoro-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide

C16H17FN2O — CID 81355507

IUPAC2-amino-4-fluoro-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc([C@@H](C)NC(=O)c2ccc(F)cc2N)cc1
InChIInChI=1S/C16H17FN2O/c1-10-3-5-12(6-4-10)11(2)19-16(20)14-8-7-13(17)9-15(14)18/h3-9,11H,18H2,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyDMXLKPVBZGUKHV-LLVKDONJSA-N
MW272.32 g/mol
LogP3.21
Rot. Bonds3

About 2-amino-4-fluoro-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide

2-amino-4-fluoro-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide (PubChem CID 81355507) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
PubChem CID81355507
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name2-amino-4-fluoro-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc([C@@H](C)NC(=O)c2ccc(F)cc2N)cc1
InChIInChI=1S/C16H17FN2O/c1-10-3-5-12(6-4-10)11(2)19-16(20)14-8-7-13(17)9-15(14)18/h3-9,11H,18H2,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyDMXLKPVBZGUKHV-LLVKDONJSA-N
XLogP3.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.21
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

2-amino-4-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 81355744
2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide
CID 63110602
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-5-fluorobenzamide
CID 81354408
N-[1-(4-fluorophenyl)ethyl]-2-hydrazinyl-5-methylbenzamide
CID 62513143
2-bromo-4-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 46579861
2-amino-4-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide
CID 62073815
[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-amino-4-fluorobenzoate
CID 43051035
2-fluoro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 46590164
2-amino-4-fluoro-N-[(4-methylphenyl)methyl]benzamide
CID 62073634
2-amino-4-fluoro-N-(5-methyl-2-pyridinyl)benzamide
CID 112687750
4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 81240748
2-fluoro-4-methyl-N-(1-phenylethyl)benzamide
CID 79770350

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide?
The IUPAC name of 2-amino-4-fluoro-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide (CID 81355507) is 2-amino-4-fluoro-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-amino-4-fluoro-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide?
The canonical SMILES for 2-amino-4-fluoro-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide is Cc1ccc([C@@H](C)NC(=O)c2ccc(F)cc2N)cc1.
What is the InChIKey of 2-amino-4-fluoro-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide?
The InChIKey is DMXLKPVBZGUKHV-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-10-3-5-12(6-4-10)11(2)19-16(20)14-8-7-13(17)9-15(14)18/h3-9,11H,18H2,1-2H3,(H,19,20)/t11-/m1/s1.
What are the key properties of 2-amino-4-fluoro-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide?
2-amino-4-fluoro-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide has a molecular weight of 272.32 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 81355507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).