3-amino-N-(4-fluorophenyl)-N-methyl-2-phenylpropanamide

C16H17FN2O — CID 62876632

IUPAC3-amino-N-(4-fluorophenyl)-N-methyl-2-phenylpropanamide
SMILESCN(C(=O)C(CN)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O/c1-19(14-9-7-13(17)8-10-14)16(20)15(11-18)12-5-3-2-4-6-12/h2-10,15H,11,18H2,1H3
InChIKeyGJBXXKRLLBDIEK-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.53
Rot. Bonds4

About 3-amino-N-(4-fluorophenyl)-N-methyl-2-phenylpropanamide

3-amino-N-(4-fluorophenyl)-N-methyl-2-phenylpropanamide (PubChem CID 62876632) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 3-amino-N-(4-fluorophenyl)-N-methyl-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(4-fluorophenyl)-N-methyl-2-phenylpropanamide
PubChem CID62876632
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name3-amino-N-(4-fluorophenyl)-N-methyl-2-phenylpropanamide
SMILESCN(C(=O)C(CN)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O/c1-19(14-9-7-13(17)8-10-14)16(20)15(11-18)12-5-3-2-4-6-12/h2-10,15H,11,18H2,1H3
InChIKeyGJBXXKRLLBDIEK-UHFFFAOYSA-N
XLogP2.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-amino-N,N-dimethyl-2-phenylpropanamide
CID 94888711
3-amino-N-ethyl-2-(4-fluorophenyl)-N-methylpropanamide;hydrochloride
CID 120630206
3-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-phenylpropanamide
CID 62877301
3-amino-N,N-diethyl-2-phenylpropanamide
CID 62876932
4-amino-N-(4-fluorophenyl)-N,2-dimethylbutanamide
CID 80543840
3-amino-N-butan-2-yl-N-methyl-2-phenylpropanamide
CID 62879219
3-amino-N-benzyl-N-methyl-2-phenylpropanamide
CID 62878331
3-amino-N-(2,4-dimethylphenyl)-N-methyl-2-phenylpropanamide
CID 62876983
3-amino-N-ethyl-N-(4-methylphenyl)-2-phenylpropanamide
CID 62876984
3-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylpropanamide
CID 81347787
3-amino-N,2-dimethyl-N-(4-phenylphenyl)propanamide
CID 115153554
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-fluorophenyl)-N-methyl-2-phenylpropanamide?
The IUPAC name of 3-amino-N-(4-fluorophenyl)-N-methyl-2-phenylpropanamide (CID 62876632) is 3-amino-N-(4-fluorophenyl)-N-methyl-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(4-fluorophenyl)-N-methyl-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-(4-fluorophenyl)-N-methyl-2-phenylpropanamide is CN(C(=O)C(CN)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 3-amino-N-(4-fluorophenyl)-N-methyl-2-phenylpropanamide?
The InChIKey is GJBXXKRLLBDIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-19(14-9-7-13(17)8-10-14)16(20)15(11-18)12-5-3-2-4-6-12/h2-10,15H,11,18H2,1H3.
What are the key properties of 3-amino-N-(4-fluorophenyl)-N-methyl-2-phenylpropanamide?
3-amino-N-(4-fluorophenyl)-N-methyl-2-phenylpropanamide has a molecular weight of 272.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-fluorophenyl)-N-methyl-2-phenylpropanamide is sourced from PubChem (CID 62876632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).