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

C19H18ClNO3 — CID 110000319

IUPAC3-(4-chlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H18ClNO3/c20-15-5-8-17(9-6-15)24-18-3-1-2-14(11-18)19(23)21-16-7-4-13(10-16)12-22/h1-9,11,13,16,22H,10,12H2,(H,21,23)/t13-,16+/m0/s1
InChIKeyGAZXZLRIUSHCNT-XJKSGUPXSA-N
MW343.81 g/mol
LogP3.80
Rot. Bonds5

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

3-(4-chlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide (PubChem CID 110000319) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
PubChem CID110000319
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC Name3-(4-chlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H18ClNO3/c20-15-5-8-17(9-6-15)24-18-3-1-2-14(11-18)19(23)21-16-7-4-13(10-16)12-22/h1-9,11,13,16,22H,10,12H2,(H,21,23)/t13-,16+/m0/s1
InChIKeyGAZXZLRIUSHCNT-XJKSGUPXSA-N
XLogP3.80
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-(4-chlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide?
The IUPAC name of 3-(4-chlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide (CID 110000319) is 3-(4-chlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide.
What is the SMILES notation for 3-(4-chlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide?
The canonical SMILES for 3-(4-chlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide is O=C(N[C@@H]1C=C[C@H](CO)C1)c1cccc(Oc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(4-chlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide?
The InChIKey is GAZXZLRIUSHCNT-XJKSGUPXSA-N. The full InChI is InChI=1S/C19H18ClNO3/c20-15-5-8-17(9-6-15)24-18-3-1-2-14(11-18)19(23)21-16-7-4-13(10-16)12-22/h1-9,11,13,16,22H,10,12H2,(H,21,23)/t13-,16+/m0/s1.
What are the key properties of 3-(4-chlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide?
3-(4-chlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide has a molecular weight of 343.81 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide is sourced from PubChem (CID 110000319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).