2-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]benzamide

C12H14ClNO3 — CID 110125116

IUPAC2-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]benzamide
SMILESO=C(N[C@@H]1CC[C@@H](O)[C@@H]1O)c1ccccc1Cl
InChIInChI=1S/C12H14ClNO3/c13-8-4-2-1-3-7(8)12(17)14-9-5-6-10(15)11(9)16/h1-4,9-11,15-16H,5-6H2,(H,14,17)/t9-,10-,11-/m1/s1
InChIKeyFECBMLOWPLQZQJ-GMTAPVOTSA-N
MW255.70 g/mol
LogP0.95
Rot. Bonds2

About 2-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]benzamide

2-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]benzamide (PubChem CID 110125116) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]benzamide
PubChem CID110125116
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name2-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]benzamide
SMILESO=C(N[C@@H]1CC[C@@H](O)[C@@H]1O)c1ccccc1Cl
InChIInChI=1S/C12H14ClNO3/c13-8-4-2-1-3-7(8)12(17)14-9-5-6-10(15)11(9)16/h1-4,9-11,15-16H,5-6H2,(H,14,17)/t9-,10-,11-/m1/s1
InChIKeyFECBMLOWPLQZQJ-GMTAPVOTSA-N
XLogP0.95
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide
CID 110125150
N-(2-aminocyclopentyl)-2-chlorobenzamide
CID 63251263
2-chloro-N-cyclopentylbenzamide
CID 669043
4-(4-chloro-3-methylphenyl)-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]naphthalene-1-carboxamide
CID 172670036
N-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide
CID 106366339
trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318284
2-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)benzamide
CID 114302135
3-chloro-N-[2-[(3-chloro-2-fluorobenzoyl)amino]cyclopentyl]-2-fluorobenzamide
CID 154754631
2-chloro-N-[(1S,2S)-2-[(5-methyl-2-pyridinyl)amino]cyclopentyl]benzamide
CID 118317099
2-chloro-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 24872464
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-3-fluoro-2-hydroxybenzamide
CID 110166110
2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]benzamide?
The IUPAC name of 2-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]benzamide (CID 110125116) is 2-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]benzamide?
The canonical SMILES for 2-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]benzamide is O=C(N[C@@H]1CC[C@@H](O)[C@@H]1O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]benzamide?
The InChIKey is FECBMLOWPLQZQJ-GMTAPVOTSA-N. The full InChI is InChI=1S/C12H14ClNO3/c13-8-4-2-1-3-7(8)12(17)14-9-5-6-10(15)11(9)16/h1-4,9-11,15-16H,5-6H2,(H,14,17)/t9-,10-,11-/m1/s1.
What are the key properties of 2-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]benzamide?
2-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]benzamide has a molecular weight of 255.70 g/mol, XLogP of 0.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]benzamide is sourced from PubChem (CID 110125116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).