3-(3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methylbutyl]propanamide

C14H20FNO2 — CID 97078263

IUPAC3-(3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methylbutyl]propanamide
SMILESCC(C)[C@H](O)CNC(=O)CCc1cccc(F)c1
InChIInChI=1S/C14H20FNO2/c1-10(2)13(17)9-16-14(18)7-6-11-4-3-5-12(15)8-11/h3-5,8,10,13,17H,6-7,9H2,1-2H3,(H,16,18)/t13-/m1/s1
InChIKeyRBASMHRSAZIWLV-CYBMUJFWSA-N
MW253.32 g/mol
LogP1.89
Rot. Bonds6

About 3-(3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methylbutyl]propanamide

3-(3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methylbutyl]propanamide (PubChem CID 97078263) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methylbutyl]propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methylbutyl]propanamide
PubChem CID97078263
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name3-(3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methylbutyl]propanamide
SMILESCC(C)[C@H](O)CNC(=O)CCc1cccc(F)c1
InChIInChI=1S/C14H20FNO2/c1-10(2)13(17)9-16-14(18)7-6-11-4-3-5-12(15)8-11/h3-5,8,10,13,17H,6-7,9H2,1-2H3,(H,16,18)/t13-/m1/s1
InChIKeyRBASMHRSAZIWLV-CYBMUJFWSA-N
XLogP1.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenyl)-N-[(2R)-2-hydroxy-3-methylbutyl]propanamide
CID 97078264
3-(3-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)propanamide
CID 115746113
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)propanamide
CID 111451187
3-(3-fluorophenyl)-N-(2-propan-2-yloxyethyl)propanamide
CID 110418848
N-[2-cyclopropyl-2-[3-(3-fluorophenyl)propanoylamino]ethyl]-3-(3-fluorophenyl)propanamide
CID 60615360
3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide
CID 43309221
3-(3-bromophenyl)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83029524
3-(3-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]propanamide
CID 51725488
N-[4-[3-(3-fluorophenyl)propanoylamino]phenyl]-3-methylbutanamide
CID 33036873
3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 127122417
N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylpropanamide
CID 90622906
5-amino-N-[2-(3-fluorophenyl)ethyl]hexanamide
CID 82849123

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methylbutyl]propanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methylbutyl]propanamide (CID 97078263) is 3-(3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methylbutyl]propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methylbutyl]propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methylbutyl]propanamide is CC(C)[C@H](O)CNC(=O)CCc1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methylbutyl]propanamide?
The InChIKey is RBASMHRSAZIWLV-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-10(2)13(17)9-16-14(18)7-6-11-4-3-5-12(15)8-11/h3-5,8,10,13,17H,6-7,9H2,1-2H3,(H,16,18)/t13-/m1/s1.
What are the key properties of 3-(3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methylbutyl]propanamide?
3-(3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methylbutyl]propanamide has a molecular weight of 253.32 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methylbutyl]propanamide is sourced from PubChem (CID 97078263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).