3-amino-N-(2-fluoro-4-methylphenyl)-3-phenylpropanamide

C16H17FN2O — CID 43114261

IUPAC3-amino-N-(2-fluoro-4-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc(NC(=O)CC(N)c2ccccc2)c(F)c1
InChIInChI=1S/C16H17FN2O/c1-11-7-8-15(13(17)9-11)19-16(20)10-14(18)12-5-3-2-4-6-12/h2-9,14H,10,18H2,1H3,(H,19,20)
InChIKeyFOWRQCBAMLYTEU-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.16
Rot. Bonds4

About 3-amino-N-(2-fluoro-4-methylphenyl)-3-phenylpropanamide

3-amino-N-(2-fluoro-4-methylphenyl)-3-phenylpropanamide (PubChem CID 43114261) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 3-amino-N-(2-fluoro-4-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-fluoro-4-methylphenyl)-3-phenylpropanamide
PubChem CID43114261
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name3-amino-N-(2-fluoro-4-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc(NC(=O)CC(N)c2ccccc2)c(F)c1
InChIInChI=1S/C16H17FN2O/c1-11-7-8-15(13(17)9-11)19-16(20)10-14(18)12-5-3-2-4-6-12/h2-9,14H,10,18H2,1H3,(H,19,20)
InChIKeyFOWRQCBAMLYTEU-UHFFFAOYSA-N
XLogP3.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2,4-dimethylphenyl)-3-phenylpropanamide
CID 24693280
N-(2-fluoro-4-methylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8898768
3-amino-1-(2-fluoro-5-methylphenyl)-3-phenylpropan-1-one
CID 116553012
[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9132052
3-amino-N-(2,6-difluoro-3-methylphenyl)-3-phenylpropanamide
CID 82801709
3-amino-N-(2,6-dimethyl-3-pyridinyl)-3-phenylpropanamide;dihydrochloride
CID 119953282
N-(2-fluoro-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 26683495
N-(2-fluoro-4-methylphenyl)propanamide
CID 60628124
4-(2-fluoro-4-methylanilino)-4-oxobutanoic acid
CID 43396222
3-amino-N-(2-hydroxy-4-methoxyphenyl)-3-phenylpropanamide
CID 102695385
(3R)-3-(carbamoylamino)-N-(2-fluoro-5-methylphenyl)-3-phenylpropanamide
CID 41172294
2-chloro-N-(2-fluoro-4-methylphenyl)acetamide
CID 2497550

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-fluoro-4-methylphenyl)-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(2-fluoro-4-methylphenyl)-3-phenylpropanamide (CID 43114261) is 3-amino-N-(2-fluoro-4-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(2-fluoro-4-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(2-fluoro-4-methylphenyl)-3-phenylpropanamide is Cc1ccc(NC(=O)CC(N)c2ccccc2)c(F)c1.
What is the InChIKey of 3-amino-N-(2-fluoro-4-methylphenyl)-3-phenylpropanamide?
The InChIKey is FOWRQCBAMLYTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11-7-8-15(13(17)9-11)19-16(20)10-14(18)12-5-3-2-4-6-12/h2-9,14H,10,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-(2-fluoro-4-methylphenyl)-3-phenylpropanamide?
3-amino-N-(2-fluoro-4-methylphenyl)-3-phenylpropanamide has a molecular weight of 272.32 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-fluoro-4-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 43114261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).