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

C13H13Cl2NO3 — CID 103977750

IUPAC2-[(2,3-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C13H13Cl2NO3/c14-9-5-2-6-10(11(9)15)16-12(17)7-3-1-4-8(7)13(18)19/h2,5-8H,1,3-4H2,(H,16,17)(H,18,19)
InChIKeyJLMUOCWOCYGTKY-UHFFFAOYSA-N
MW302.16 g/mol
LogP3.43
Rot. Bonds3

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

2-[(2,3-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103977750) has the molecular formula C13H13Cl2NO3 and a molecular weight of 302.16 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103977750
Molecular FormulaC13H13Cl2NO3
Molecular Weight302.16 g/mol
Exact Mass301.03
IUPAC Name2-[(2,3-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C13H13Cl2NO3/c14-9-5-2-6-10(11(9)15)16-12(17)7-3-1-4-8(7)13(18)19/h2,5-8H,1,3-4H2,(H,16,17)(H,18,19)
InChIKeyJLMUOCWOCYGTKY-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-[(2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 786077
N-(2,3-dichlorophenyl)cyclopropanecarboxamide
CID 4652086
N-(2,3-dichlorophenyl)cyclohexanecarboxamide
CID 836509
2-[(4-bromo-2,3-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 104576281
N-(2,3-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 55231498
N-(2-bromo-3-chlorophenyl)-2-methylcyclopentane-1-carboxamide
CID 103578301
N-(2,3-dichlorophenyl)-4-hydroxycyclohexane-1-carboxamide
CID 112524536
trans-(1R,2R)-2-(naphthalen-1-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 823443
2-[(2-aminophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 61403717
N-(2,3-dichlorophenyl)oxolane-2-carboxamide
CID 3155144
2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2884537
2-[[3-chloro-2-(2-ethoxyethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975465

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2,3-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103977750) is 2-[(2,3-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2,3-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(2,3-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is JLMUOCWOCYGTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO3/c14-9-5-2-6-10(11(9)15)16-12(17)7-3-1-4-8(7)13(18)19/h2,5-8H,1,3-4H2,(H,16,17)(H,18,19).
What are the key properties of 2-[(2,3-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
2-[(2,3-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-[(2,3-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103977750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).