(3S,4S)-3-fluoro-3-[(S)-hydroxy(phenyl)methyl]-4-(4-methylphenyl)azetidin-2-one

C17H16FNO2 — CID 102483809

IUPAC(3S,4S)-3-fluoro-3-[(S)-hydroxy(phenyl)methyl]-4-(4-methylphenyl)azetidin-2-one
SMILESCc1ccc([C@@H]2NC(=O)[C@@]2(F)[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C17H16FNO2/c1-11-7-9-12(10-8-11)14-17(18,16(21)19-14)15(20)13-5-3-2-4-6-13/h2-10,14-15,20H,1H3,(H,19,21)/t14-,15-,17-/m0/s1
InChIKeyBAWQIKXGAIUINI-ZOBUZTSGSA-N
MW285.32 g/mol
LogP2.61
Rot. Bonds3

About (3S,4S)-3-fluoro-3-[(S)-hydroxy(phenyl)methyl]-4-(4-methylphenyl)azetidin-2-one

(3S,4S)-3-fluoro-3-[(S)-hydroxy(phenyl)methyl]-4-(4-methylphenyl)azetidin-2-one (PubChem CID 102483809) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is (3S,4S)-3-fluoro-3-[(S)-hydroxy(phenyl)methyl]-4-(4-methylphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-fluoro-3-[(S)-hydroxy(phenyl)methyl]-4-(4-methylphenyl)azetidin-2-one
PubChem CID102483809
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name(3S,4S)-3-fluoro-3-[(S)-hydroxy(phenyl)methyl]-4-(4-methylphenyl)azetidin-2-one
SMILESCc1ccc([C@@H]2NC(=O)[C@@]2(F)[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C17H16FNO2/c1-11-7-9-12(10-8-11)14-17(18,16(21)19-14)15(20)13-5-3-2-4-6-13/h2-10,14-15,20H,1H3,(H,19,21)/t14-,15-,17-/m0/s1
InChIKeyBAWQIKXGAIUINI-ZOBUZTSGSA-N
XLogP2.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)acetamide
CID 5079333
N-(2-hydroxy-1,2-diphenylethyl)acetamide
CID 5151076
N-benzyl-2,2-difluoro-3-hydroxy-5-phenylpentanamide
CID 17761922
Caesalpinine A
CID 5458904
N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]-2-phenylacetamide
CID 41098012
N-[(2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-heptylbenzamide
CID 44421785
N-benzyl-3-hydroxy-2,2-dimethyl-3-phenylpropanamide
CID 44560508
(2R,3S)-3-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid
CID 171347083
(2R,3S)-3-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid
CID 171356060
(7S,12S,13S)-13-[(R)-hydroxy(phenyl)methyl]-7-phenyl-1,6,10-triazabicyclo[10.2.1]pentadecane-9,14-dione
CID 162962957
(7R,13S,20R)-20-hydroxy-7-phenyl-1,6,10-triazatricyclo[11.9.0.014,19]docosa-14,16,18-triene-9,22-dione
CID 162984275
(3R)-2,2-difluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]butanamide
CID 57381740

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-fluoro-3-[(S)-hydroxy(phenyl)methyl]-4-(4-methylphenyl)azetidin-2-one?
The IUPAC name of (3S,4S)-3-fluoro-3-[(S)-hydroxy(phenyl)methyl]-4-(4-methylphenyl)azetidin-2-one (CID 102483809) is (3S,4S)-3-fluoro-3-[(S)-hydroxy(phenyl)methyl]-4-(4-methylphenyl)azetidin-2-one.
What is the SMILES notation for (3S,4S)-3-fluoro-3-[(S)-hydroxy(phenyl)methyl]-4-(4-methylphenyl)azetidin-2-one?
The canonical SMILES for (3S,4S)-3-fluoro-3-[(S)-hydroxy(phenyl)methyl]-4-(4-methylphenyl)azetidin-2-one is Cc1ccc([C@@H]2NC(=O)[C@@]2(F)[C@@H](O)c2ccccc2)cc1.
What is the InChIKey of (3S,4S)-3-fluoro-3-[(S)-hydroxy(phenyl)methyl]-4-(4-methylphenyl)azetidin-2-one?
The InChIKey is BAWQIKXGAIUINI-ZOBUZTSGSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-11-7-9-12(10-8-11)14-17(18,16(21)19-14)15(20)13-5-3-2-4-6-13/h2-10,14-15,20H,1H3,(H,19,21)/t14-,15-,17-/m0/s1.
What are the key properties of (3S,4S)-3-fluoro-3-[(S)-hydroxy(phenyl)methyl]-4-(4-methylphenyl)azetidin-2-one?
(3S,4S)-3-fluoro-3-[(S)-hydroxy(phenyl)methyl]-4-(4-methylphenyl)azetidin-2-one has a molecular weight of 285.32 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-fluoro-3-[(S)-hydroxy(phenyl)methyl]-4-(4-methylphenyl)azetidin-2-one is sourced from PubChem (CID 102483809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).