(3S)-N-butyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)butanamide

C16H24FNO2 — CID 97027588

IUPAC(3S)-N-butyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)butanamide
SMILESCCCCN(CCO)C(=O)C[C@H](C)c1cccc(F)c1
InChIInChI=1S/C16H24FNO2/c1-3-4-8-18(9-10-19)16(20)11-13(2)14-6-5-7-15(17)12-14/h5-7,12-13,19H,3-4,8-11H2,1-2H3/t13-/m0/s1
InChIKeyKWVIGEZKOOSLQP-ZDUSSCGKSA-N
MW281.37 g/mol
LogP2.94
Rot. Bonds8

About (3S)-N-butyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)butanamide

(3S)-N-butyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)butanamide (PubChem CID 97027588) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is (3S)-N-butyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)butanamide.

Molecular Properties

Compound Name(3S)-N-butyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)butanamide
PubChem CID97027588
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name(3S)-N-butyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)butanamide
SMILESCCCCN(CCO)C(=O)C[C@H](C)c1cccc(F)c1
InChIInChI=1S/C16H24FNO2/c1-3-4-8-18(9-10-19)16(20)11-13(2)14-6-5-7-15(17)12-14/h5-7,12-13,19H,3-4,8-11H2,1-2H3/t13-/m0/s1
InChIKeyKWVIGEZKOOSLQP-ZDUSSCGKSA-N
XLogP2.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 71261
2-(4-fluorophenyl)-N,N-dipropylacetamide
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CID 3747942
1-Morpholin-4-yl-2-phenylpropan-1-one
CID 11031349
N-(2-hydroxyethyl)-N-methyl-2,2-diphenylacetamide
CID 921388
N-(2-hydroxyethyl)-2,2-diphenyl-N-(propan-2-yl)acetamide
CID 659521
N-ethyl-N-(2-hydroxyethyl)-2,2-diphenylacetamide
CID 921277
2-(2-hydroxyethyl)-4,7-diphenyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CID 2856716
2-[4-(3-Phenylpropanoyl)piperazin-1-yl]ethanol
CID 2942280
(R,5Z,8Z,11Z,14Z)-19-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)nonadeca-5,8,11,14-tetraenamide
CID 44563693
N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide
CID 5459522
E-5050
CID 129506

Frequently Asked Questions

What is the IUPAC name of (3S)-N-butyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)butanamide?
The IUPAC name of (3S)-N-butyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)butanamide (CID 97027588) is (3S)-N-butyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)butanamide.
What is the SMILES notation for (3S)-N-butyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)butanamide?
The canonical SMILES for (3S)-N-butyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)butanamide is CCCCN(CCO)C(=O)C[C@H](C)c1cccc(F)c1.
What is the InChIKey of (3S)-N-butyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)butanamide?
The InChIKey is KWVIGEZKOOSLQP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-3-4-8-18(9-10-19)16(20)11-13(2)14-6-5-7-15(17)12-14/h5-7,12-13,19H,3-4,8-11H2,1-2H3/t13-/m0/s1.
What are the key properties of (3S)-N-butyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)butanamide?
(3S)-N-butyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)butanamide has a molecular weight of 281.37 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-butyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)butanamide is sourced from PubChem (CID 97027588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).