N-(2-fluoro-4-methylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide

C17H19FN2O — CID 8898768

IUPACN-(2-fluoro-4-methylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
SMILESCc1ccc(NC(=O)CN[C@H](C)c2ccccc2)c(F)c1
InChIInChI=1S/C17H19FN2O/c1-12-8-9-16(15(18)10-12)20-17(21)11-19-13(2)14-6-4-3-5-7-14/h3-10,13,19H,11H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyUEJMIYMOWAVBRB-CYBMUJFWSA-N
MW286.35 g/mol
LogP3.42
Rot. Bonds5

About N-(2-fluoro-4-methylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide

N-(2-fluoro-4-methylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide (PubChem CID 8898768) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
PubChem CID8898768
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-(2-fluoro-4-methylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
SMILESCc1ccc(NC(=O)CN[C@H](C)c2ccccc2)c(F)c1
InChIInChI=1S/C17H19FN2O/c1-12-8-9-16(15(18)10-12)20-17(21)11-19-13(2)14-6-4-3-5-7-14/h3-10,13,19H,11H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyUEJMIYMOWAVBRB-CYBMUJFWSA-N
XLogP3.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9307279
N-(4-chloro-2-fluorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336002
2-(butan-2-ylamino)-N-(2-fluoro-4-methylphenyl)acetamide
CID 60646943
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9370429
3-amino-N-(2-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 43114261
N-[(2,4-dimethylphenyl)carbamoyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8898040
[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9132052
2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9377837
N-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide
CID 78289102
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2,4-dimethylphenyl)acetamide
CID 9376646
2-fluoro-4-methyl-N-(1-phenylethyl)aniline
CID 43088352
N-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898362

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide (CID 8898768) is N-(2-fluoro-4-methylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide is Cc1ccc(NC(=O)CN[C@H](C)c2ccccc2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide?
The InChIKey is UEJMIYMOWAVBRB-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12-8-9-16(15(18)10-12)20-17(21)11-19-13(2)14-6-4-3-5-7-14/h3-10,13,19H,11H2,1-2H3,(H,20,21)/t13-/m1/s1.
What are the key properties of N-(2-fluoro-4-methylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide?
N-(2-fluoro-4-methylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide has a molecular weight of 286.35 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide is sourced from PubChem (CID 8898768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).