N-(2,3-dichlorophenyl)cyclopentanecarboxamide

C12H13Cl2NO — CID 844456

IUPACN-(2,3-dichlorophenyl)cyclopentanecarboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)C1CCCC1
InChIInChI=1S/C12H13Cl2NO/c13-9-6-3-7-10(11(9)14)15-12(16)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H,15,16)
InChIKeyMEEYZYSDEZYNSW-UHFFFAOYSA-N
MW258.15 g/mol
LogP4.12
Rot. Bonds2

About N-(2,3-dichlorophenyl)cyclopentanecarboxamide

N-(2,3-dichlorophenyl)cyclopentanecarboxamide (PubChem CID 844456) has the molecular formula C12H13Cl2NO and a molecular weight of 258.15 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)cyclopentanecarboxamide
PubChem CID844456
Molecular FormulaC12H13Cl2NO
Molecular Weight258.15 g/mol
Exact Mass257.04
IUPAC NameN-(2,3-dichlorophenyl)cyclopentanecarboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)C1CCCC1
InChIInChI=1S/C12H13Cl2NO/c13-9-6-3-7-10(11(9)14)15-12(16)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H,15,16)
InChIKeyMEEYZYSDEZYNSW-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-(3,5-dichlorophenyl)cyclopentanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)cyclopentanecarboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)cyclopentanecarboxamide (CID 844456) is N-(2,3-dichlorophenyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)cyclopentanecarboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)cyclopentanecarboxamide is O=C(Nc1cccc(Cl)c1Cl)C1CCCC1.
What is the InChIKey of N-(2,3-dichlorophenyl)cyclopentanecarboxamide?
The InChIKey is MEEYZYSDEZYNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO/c13-9-6-3-7-10(11(9)14)15-12(16)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H,15,16).
What are the key properties of N-(2,3-dichlorophenyl)cyclopentanecarboxamide?
N-(2,3-dichlorophenyl)cyclopentanecarboxamide has a molecular weight of 258.15 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)cyclopentanecarboxamide is sourced from PubChem (CID 844456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).