2-[(3,5-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid

C13H13Cl2NO3 — CID 75115965

IUPAC2-[(3,5-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H13Cl2NO3/c14-7-4-8(15)6-9(5-7)16-12(17)10-2-1-3-11(10)13(18)19/h4-6,10-11H,1-3H2,(H,16,17)(H,18,19)
InChIKeyWOWFFQABGSKZQE-UHFFFAOYSA-N
MW302.16 g/mol
LogP3.43
Rot. Bonds3

About 2-[(3,5-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid

2-[(3,5-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 75115965) has the molecular formula C13H13Cl2NO3 and a molecular weight of 302.16 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3,5-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID75115965
Molecular FormulaC13H13Cl2NO3
Molecular Weight302.16 g/mol
Exact Mass301.03
IUPAC Name2-[(3,5-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H13Cl2NO3/c14-7-4-8(15)6-9(5-7)16-12(17)10-2-1-3-11(10)13(18)19/h4-6,10-11H,1-3H2,(H,16,17)(H,18,19)
InChIKeyWOWFFQABGSKZQE-UHFFFAOYSA-N
XLogP3.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-[(3,5-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 888025
sodium cis-(1R,2S)-2-[(3,5-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 56972207
(1R,6S)-6-[(3,5-dichlorophenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 896988
2-[(3,5-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64818045
cis-(1S,2R)-2-[(2,4,6-trichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 42300958
2-[(4-bromo-3,5-dimethylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 107571596
trans-(1R,2R)-2-[(3,4-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 763889
cis-(1S,2R)-2-[(2-chloro-4-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092714
cis-(1S,2R)-2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114093284
trans-(1S,2S)-2-(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 41097609
2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 113360982
2-[(3-chloro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2856466

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3,5-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 75115965) is 2-[(3,5-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3,5-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3,5-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[(3,5-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is WOWFFQABGSKZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO3/c14-7-4-8(15)6-9(5-7)16-12(17)10-2-1-3-11(10)13(18)19/h4-6,10-11H,1-3H2,(H,16,17)(H,18,19).
What are the key properties of 2-[(3,5-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
2-[(3,5-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 302.16 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 75115965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).