(3R)-3-(3-fluorophenyl)-N-[2-[(1R)-1-hydroxyethyl]phenyl]butanamide

C18H20FNO2 — CID 97339857

IUPAC(3R)-3-(3-fluorophenyl)-N-[2-[(1R)-1-hydroxyethyl]phenyl]butanamide
SMILESC[C@H](CC(=O)Nc1ccccc1[C@@H](C)O)c1cccc(F)c1
InChIInChI=1S/C18H20FNO2/c1-12(14-6-5-7-15(19)11-14)10-18(22)20-17-9-4-3-8-16(17)13(2)21/h3-9,11-13,21H,10H2,1-2H3,(H,20,22)/t12-,13-/m1/s1
InChIKeyAVFGURFUZHQDMW-CHWSQXEVSA-N
MW301.36 g/mol
LogP4.01
Rot. Bonds5

About (3R)-3-(3-fluorophenyl)-N-[2-[(1R)-1-hydroxyethyl]phenyl]butanamide

(3R)-3-(3-fluorophenyl)-N-[2-[(1R)-1-hydroxyethyl]phenyl]butanamide (PubChem CID 97339857) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is (3R)-3-(3-fluorophenyl)-N-[2-[(1R)-1-hydroxyethyl]phenyl]butanamide.

Molecular Properties

Compound Name(3R)-3-(3-fluorophenyl)-N-[2-[(1R)-1-hydroxyethyl]phenyl]butanamide
PubChem CID97339857
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name(3R)-3-(3-fluorophenyl)-N-[2-[(1R)-1-hydroxyethyl]phenyl]butanamide
SMILESC[C@H](CC(=O)Nc1ccccc1[C@@H](C)O)c1cccc(F)c1
InChIInChI=1S/C18H20FNO2/c1-12(14-6-5-7-15(19)11-14)10-18(22)20-17-9-4-3-8-16(17)13(2)21/h3-9,11-13,21H,10H2,1-2H3,(H,20,22)/t12-,13-/m1/s1
InChIKeyAVFGURFUZHQDMW-CHWSQXEVSA-N
XLogP4.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenyl)-N-[2-(1-hydroxyethyl)phenyl]butanamide
CID 75447862
(3R)-3-(3-fluorophenyl)butanoic acid
CID 28791547
2-[3-(3-fluorophenyl)butanoylamino]butanoic acid
CID 119223317
3-(3-fluorophenyl)-N-[2-(methylamino)ethyl]butanamide
CID 119501543
2-(2-fluorophenyl)-N-[2-(1-hydroxyethyl)phenyl]acetamide
CID 43508486
(2S)-2-[[(3R)-3-(3-fluorophenyl)butanoyl]amino]-3-methylbutanoic acid
CID 97323884
N-[2-(1-hydroxyethyl)phenyl]butanamide
CID 43508507
4-[3-(3-fluorophenyl)butanoylamino]-4-phenylbutanoic acid
CID 119200963
N-[2-(ethylamino)ethyl]-3-(3-fluorophenyl)butanamide;hydrochloride
CID 119506390
(3R)-N-(2-methylphenyl)-3-phenylbutanamide
CID 7946569
1-[2-[(3-fluorophenyl)methylamino]phenyl]ethanol
CID 54962584
N-[2-[3-(4-fluorophenyl)butanoylamino]phenyl]benzamide
CID 55919521

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-fluorophenyl)-N-[2-[(1R)-1-hydroxyethyl]phenyl]butanamide?
The IUPAC name of (3R)-3-(3-fluorophenyl)-N-[2-[(1R)-1-hydroxyethyl]phenyl]butanamide (CID 97339857) is (3R)-3-(3-fluorophenyl)-N-[2-[(1R)-1-hydroxyethyl]phenyl]butanamide.
What is the SMILES notation for (3R)-3-(3-fluorophenyl)-N-[2-[(1R)-1-hydroxyethyl]phenyl]butanamide?
The canonical SMILES for (3R)-3-(3-fluorophenyl)-N-[2-[(1R)-1-hydroxyethyl]phenyl]butanamide is C[C@H](CC(=O)Nc1ccccc1[C@@H](C)O)c1cccc(F)c1.
What is the InChIKey of (3R)-3-(3-fluorophenyl)-N-[2-[(1R)-1-hydroxyethyl]phenyl]butanamide?
The InChIKey is AVFGURFUZHQDMW-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-12(14-6-5-7-15(19)11-14)10-18(22)20-17-9-4-3-8-16(17)13(2)21/h3-9,11-13,21H,10H2,1-2H3,(H,20,22)/t12-,13-/m1/s1.
What are the key properties of (3R)-3-(3-fluorophenyl)-N-[2-[(1R)-1-hydroxyethyl]phenyl]butanamide?
(3R)-3-(3-fluorophenyl)-N-[2-[(1R)-1-hydroxyethyl]phenyl]butanamide has a molecular weight of 301.36 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-fluorophenyl)-N-[2-[(1R)-1-hydroxyethyl]phenyl]butanamide is sourced from PubChem (CID 97339857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).