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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Related Compounds

N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-benzimidazole-5-carboxamide
CID 111697069
5-(4-chlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]thiophene-2-carboxamide
CID 111661586
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(4-phenoxyphenyl)methyl]urea
CID 111630846
1-(3-chlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide
CID 111661678
4-cyclohexyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
CID 111696841
3-(4-chlorophenoxy)-N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]benzamide
CID 162690764
2,5-difluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
CID 111661638
4-chloro-1-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]naphthalene-2-carboxamide
CID 111860717
N-cyclopentyl-3-phenoxybenzamide
CID 2684460
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-methylpyridine-3-carboxamide
CID 111661211
3-phenoxy-N-piperidin-4-ylbenzamide
CID 71730778
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 111661620

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).