(2S)-2-[[4-(3-fluorophenyl)phenyl]methylamino]propanamide

C16H17FN2O — CID 121266382

IUPAC(2S)-2-[[4-(3-fluorophenyl)phenyl]methylamino]propanamide
SMILESC[C@H](NCc1ccc(-c2cccc(F)c2)cc1)C(N)=O
InChIInChI=1S/C16H17FN2O/c1-11(16(18)20)19-10-12-5-7-13(8-6-12)14-3-2-4-15(17)9-14/h2-9,11,19H,10H2,1H3,(H2,18,20)/t11-/m0/s1
InChIKeyOCLHWDXPSNKWQP-NSHDSACASA-N
MW272.32 g/mol
LogP2.46
Rot. Bonds5

About (2S)-2-[[4-(3-fluorophenyl)phenyl]methylamino]propanamide

(2S)-2-[[4-(3-fluorophenyl)phenyl]methylamino]propanamide (PubChem CID 121266382) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is (2S)-2-[[4-(3-fluorophenyl)phenyl]methylamino]propanamide.

Molecular Properties

Compound Name(2S)-2-[[4-(3-fluorophenyl)phenyl]methylamino]propanamide
PubChem CID121266382
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name(2S)-2-[[4-(3-fluorophenyl)phenyl]methylamino]propanamide
SMILESC[C@H](NCc1ccc(-c2cccc(F)c2)cc1)C(N)=O
InChIInChI=1S/C16H17FN2O/c1-11(16(18)20)19-10-12-5-7-13(8-6-12)14-3-2-4-15(17)9-14/h2-9,11,19H,10H2,1H3,(H2,18,20)/t11-/m0/s1
InChIKeyOCLHWDXPSNKWQP-NSHDSACASA-N
XLogP2.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[4-(4-chlorophenyl)phenyl]methylamino]propanamide
CID 121266437
2-[4-(3-fluorophenyl)phenyl]acetamide
CID 143262038
(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;methanesulfonic acid
CID 3038502
2-[[4-(3-fluorophenyl)phenyl]methylamino]prop-2-enamide
CID 163711499
methanesulfonic acid;(2S)-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylamino]propanamide
CID 154730643
2-[(4-bromophenyl)methylamino]propanamide
CID 43402314
2-[(3-fluorophenyl)methylamino]propanoic acid
CID 16768986
(2S)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 94999647
2-[(4-nitrophenyl)methylamino]propanamide
CID 43402378
(2R)-2-[(3-fluorophenyl)methylamino]-N-methylpropanamide
CID 28970574
1-[4-(3-fluorophenyl)phenyl]-N,3-dimethylbutan-2-amine
CID 82540477
methyl 2-[(4-methylphenyl)methylamino]propanoate
CID 19362169

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(3-fluorophenyl)phenyl]methylamino]propanamide?
The IUPAC name of (2S)-2-[[4-(3-fluorophenyl)phenyl]methylamino]propanamide (CID 121266382) is (2S)-2-[[4-(3-fluorophenyl)phenyl]methylamino]propanamide.
What is the SMILES notation for (2S)-2-[[4-(3-fluorophenyl)phenyl]methylamino]propanamide?
The canonical SMILES for (2S)-2-[[4-(3-fluorophenyl)phenyl]methylamino]propanamide is C[C@H](NCc1ccc(-c2cccc(F)c2)cc1)C(N)=O.
What is the InChIKey of (2S)-2-[[4-(3-fluorophenyl)phenyl]methylamino]propanamide?
The InChIKey is OCLHWDXPSNKWQP-NSHDSACASA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11(16(18)20)19-10-12-5-7-13(8-6-12)14-3-2-4-15(17)9-14/h2-9,11,19H,10H2,1H3,(H2,18,20)/t11-/m0/s1.
What are the key properties of (2S)-2-[[4-(3-fluorophenyl)phenyl]methylamino]propanamide?
(2S)-2-[[4-(3-fluorophenyl)phenyl]methylamino]propanamide has a molecular weight of 272.32 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(3-fluorophenyl)phenyl]methylamino]propanamide is sourced from PubChem (CID 121266382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).