2,3-dichloro-N-(2-chlorocyclopentyl)benzamide

C12H12Cl3NO — CID 106443948

IUPAC2,3-dichloro-N-(2-chlorocyclopentyl)benzamide
SMILESO=C(NC1CCCC1Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H12Cl3NO/c13-8-4-2-6-10(8)16-12(17)7-3-1-5-9(14)11(7)15/h1,3,5,8,10H,2,4,6H2,(H,16,17)
InChIKeyKDTPJAZXGMDUPL-UHFFFAOYSA-N
MW292.59 g/mol
LogP3.88
Rot. Bonds2

About 2,3-dichloro-N-(2-chlorocyclopentyl)benzamide

2,3-dichloro-N-(2-chlorocyclopentyl)benzamide (PubChem CID 106443948) has the molecular formula C12H12Cl3NO and a molecular weight of 292.59 g/mol. Its IUPAC name is 2,3-dichloro-N-(2-chlorocyclopentyl)benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-(2-chlorocyclopentyl)benzamide
PubChem CID106443948
Molecular FormulaC12H12Cl3NO
Molecular Weight292.59 g/mol
Exact Mass291.00
IUPAC Name2,3-dichloro-N-(2-chlorocyclopentyl)benzamide
SMILESO=C(NC1CCCC1Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H12Cl3NO/c13-8-4-2-6-10(8)16-12(17)7-3-1-5-9(14)11(7)15/h1,3,5,8,10H,2,4,6H2,(H,16,17)
InChIKeyKDTPJAZXGMDUPL-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.59
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,3-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64813494
N-(2-chlorocyclohexyl)-2,3-dihydroxybenzamide
CID 114345275
2-bromo-N-(2-chlorocyclohexyl)benzamide
CID 114301050
3-chloro-N-[2-[(3-chloro-2-fluorobenzoyl)amino]cyclopentyl]-2-fluorobenzamide
CID 154754631
N-(2-aminocyclopentyl)-2-chlorobenzamide
CID 63251263
N-(2-chlorocyclohexyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 114301247
2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688100
4-chloro-N-(2-chlorocyclohexyl)-2-hydroxybenzamide
CID 113272580
N-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide
CID 106366339
2-chloro-3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 104956755
N-(2-chlorocyclopentyl)-3-fluorobenzamide
CID 106443839
3-bromo-2-chloro-N-(2-hydroxycyclohexyl)benzamide
CID 110021575

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(2-chlorocyclopentyl)benzamide?
The IUPAC name of 2,3-dichloro-N-(2-chlorocyclopentyl)benzamide (CID 106443948) is 2,3-dichloro-N-(2-chlorocyclopentyl)benzamide.
What is the SMILES notation for 2,3-dichloro-N-(2-chlorocyclopentyl)benzamide?
The canonical SMILES for 2,3-dichloro-N-(2-chlorocyclopentyl)benzamide is O=C(NC1CCCC1Cl)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(2-chlorocyclopentyl)benzamide?
The InChIKey is KDTPJAZXGMDUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl3NO/c13-8-4-2-6-10(8)16-12(17)7-3-1-5-9(14)11(7)15/h1,3,5,8,10H,2,4,6H2,(H,16,17).
What are the key properties of 2,3-dichloro-N-(2-chlorocyclopentyl)benzamide?
2,3-dichloro-N-(2-chlorocyclopentyl)benzamide has a molecular weight of 292.59 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(2-chlorocyclopentyl)benzamide is sourced from PubChem (CID 106443948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).