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

C19H17ClFNO2 — CID 111696825

IUPAC4-(4-chlorophenyl)-2-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)c1ccc(-c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C19H17ClFNO2/c20-15-5-2-13(3-6-15)14-4-8-17(18(21)10-14)19(24)22-16-7-1-12(9-16)11-23/h1-8,10,12,16,23H,9,11H2,(H,22,24)/t12-,16+/m0/s1
InChIKeyGAKQTXJCXSIFAF-BLLLJJGKSA-N
MW345.80 g/mol
LogP3.81
Rot. Bonds4

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

4-(4-chlorophenyl)-2-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide (PubChem CID 111696825) has the molecular formula C19H17ClFNO2 and a molecular weight of 345.80 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
PubChem CID111696825
Molecular FormulaC19H17ClFNO2
Molecular Weight345.80 g/mol
Exact Mass345.09
IUPAC Name4-(4-chlorophenyl)-2-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)c1ccc(-c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C19H17ClFNO2/c20-15-5-2-13(3-6-15)14-4-8-17(18(21)10-14)19(24)22-16-7-1-12(9-16)11-23/h1-8,10,12,16,23H,9,11H2,(H,22,24)/t12-,16+/m0/s1
InChIKeyGAKQTXJCXSIFAF-BLLLJJGKSA-N
XLogP3.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.80
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide?
The IUPAC name of 4-(4-chlorophenyl)-2-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide (CID 111696825) is 4-(4-chlorophenyl)-2-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide.
What is the SMILES notation for 4-(4-chlorophenyl)-2-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide?
The canonical SMILES for 4-(4-chlorophenyl)-2-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide is O=C(N[C@@H]1C=C[C@H](CO)C1)c1ccc(-c2ccc(Cl)cc2)cc1F.
What is the InChIKey of 4-(4-chlorophenyl)-2-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide?
The InChIKey is GAKQTXJCXSIFAF-BLLLJJGKSA-N. The full InChI is InChI=1S/C19H17ClFNO2/c20-15-5-2-13(3-6-15)14-4-8-17(18(21)10-14)19(24)22-16-7-1-12(9-16)11-23/h1-8,10,12,16,23H,9,11H2,(H,22,24)/t12-,16+/m0/s1.
What are the key properties of 4-(4-chlorophenyl)-2-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide?
4-(4-chlorophenyl)-2-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide has a molecular weight of 345.80 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide is sourced from PubChem (CID 111696825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).