4-chloro-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide

C13H16ClNO3 — CID 97039827

IUPAC4-chloro-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide
SMILESO=C(N[C@H]1C[C@H](CO)[C@H](O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO3/c14-10-3-1-8(2-4-10)13(18)15-11-5-9(7-16)12(17)6-11/h1-4,9,11-12,16-17H,5-7H2,(H,15,18)/t9-,11+,12-/m1/s1
InChIKeySUWOAYOMAKVGKV-ADEWGFFLSA-N
MW269.73 g/mol
LogP1.20
Rot. Bonds3

About 4-chloro-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide

4-chloro-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide (PubChem CID 97039827) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 4-chloro-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide
PubChem CID97039827
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name4-chloro-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide
SMILESO=C(N[C@H]1C[C@H](CO)[C@H](O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO3/c14-10-3-1-8(2-4-10)13(18)15-11-5-9(7-16)12(17)6-11/h1-4,9,11-12,16-17H,5-7H2,(H,15,18)/t9-,11+,12-/m1/s1
InChIKeySUWOAYOMAKVGKV-ADEWGFFLSA-N
XLogP1.20
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide
CID 71785720
N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-pyrrol-1-ylbenzamide
CID 97039686
2-(4-chlorophenoxy)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
CID 97039863
5-chloro-N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
CID 97040090
N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1,3-benzodioxole-5-carboxamide
CID 97039811
2-chloro-6-fluoro-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide
CID 97039843
N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-indole-5-carboxamide
CID 98783804
3-cyano-N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide
CID 98783757
(3S)-1-(4-chlorophenyl)-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-oxopyrrolidine-3-carboxamide
CID 97040001
N-(2-aminocyclopropyl)-4-chlorobenzamide
CID 43593825
N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]quinoxaline-2-carboxamide
CID 98783711
N-[1-[bis(4-chlorophenyl)methyl]-5-(hydroxymethyl)pyrrolidin-3-yl]-4-chlorobenzamide
CID 69372636

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide?
The IUPAC name of 4-chloro-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide (CID 97039827) is 4-chloro-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide is O=C(N[C@H]1C[C@H](CO)[C@H](O)C1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide?
The InChIKey is SUWOAYOMAKVGKV-ADEWGFFLSA-N. The full InChI is InChI=1S/C13H16ClNO3/c14-10-3-1-8(2-4-10)13(18)15-11-5-9(7-16)12(17)6-11/h1-4,9,11-12,16-17H,5-7H2,(H,15,18)/t9-,11+,12-/m1/s1.
What are the key properties of 4-chloro-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide?
4-chloro-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide has a molecular weight of 269.73 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide is sourced from PubChem (CID 97039827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).