3-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methoxybenzamide

C14H16FNO3 — CID 111697126

IUPAC3-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H]2C=C[C@H](CO)C2)cc1F
InChIInChI=1S/C14H16FNO3/c1-19-13-5-3-10(7-12(13)15)14(18)16-11-4-2-9(6-11)8-17/h2-5,7,9,11,17H,6,8H2,1H3,(H,16,18)/t9-,11+/m0/s1
InChIKeyCLTMYIFJSHLEMM-GXSJLCMTSA-N
MW265.28 g/mol
LogP1.50
Rot. Bonds4

About 3-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methoxybenzamide

3-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methoxybenzamide (PubChem CID 111697126) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 3-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methoxybenzamide
PubChem CID111697126
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name3-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H]2C=C[C@H](CO)C2)cc1F
InChIInChI=1S/C14H16FNO3/c1-19-13-5-3-10(7-12(13)15)14(18)16-11-4-2-9(6-11)8-17/h2-5,7,9,11,17H,6,8H2,1H3,(H,16,18)/t9-,11+/m0/s1
InChIKeyCLTMYIFJSHLEMM-GXSJLCMTSA-N
XLogP1.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluoro-2-methoxyphenyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111631374
N-[2-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide
CID 106366906
N-[2-(chloromethyl)cyclopentyl]-3-fluoro-4-methoxybenzamide
CID 106366034
2,5-difluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
CID 111661638
N-(2-aminocyclopentyl)-3-fluoro-4-methoxybenzamide
CID 63251639
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 111631319
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoro-4-methoxybenzamide
CID 79698755
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(4-methoxy-3-methylphenyl)methyl]urea
CID 111630857
3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide
CID 86780875
3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
CID 64997274
3-(2,2-dimethylpropanoylamino)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
CID 111661623
4-(4-chlorophenyl)-2-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
CID 111696825

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methoxybenzamide?
The IUPAC name of 3-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methoxybenzamide (CID 111697126) is 3-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methoxybenzamide.
What is the SMILES notation for 3-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methoxybenzamide?
The canonical SMILES for 3-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@@H]2C=C[C@H](CO)C2)cc1F.
What is the InChIKey of 3-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methoxybenzamide?
The InChIKey is CLTMYIFJSHLEMM-GXSJLCMTSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-19-13-5-3-10(7-12(13)15)14(18)16-11-4-2-9(6-11)8-17/h2-5,7,9,11,17H,6,8H2,1H3,(H,16,18)/t9-,11+/m0/s1.
What are the key properties of 3-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methoxybenzamide?
3-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methoxybenzamide has a molecular weight of 265.28 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methoxybenzamide is sourced from PubChem (CID 111697126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).