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

C14H15Cl2NO3 — CID 2838184

IUPAC2-[(2,3-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H15Cl2NO3/c15-10-6-3-7-11(12(10)16)17-13(18)8-4-1-2-5-9(8)14(19)20/h3,6-9H,1-2,4-5H2,(H,17,18)(H,19,20)
InChIKeyYWMOHGQQVHRBJF-UHFFFAOYSA-N
MW316.18 g/mol
LogP3.82
Rot. Bonds3

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

2-[(2,3-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 2838184) has the molecular formula C14H15Cl2NO3 and a molecular weight of 316.18 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID2838184
Molecular FormulaC14H15Cl2NO3
Molecular Weight316.18 g/mol
Exact Mass315.04
IUPAC Name2-[(2,3-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H15Cl2NO3/c15-10-6-3-7-11(12(10)16)17-13(18)8-4-1-2-5-9(8)14(19)20/h3,6-9H,1-2,4-5H2,(H,17,18)(H,19,20)
InChIKeyYWMOHGQQVHRBJF-UHFFFAOYSA-N
XLogP3.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

VU0155041
CID 888023
2-{[(3-Chloro-4-methylphenyl)amino]carbonyl}cyclohexanecarboxylic acid
CID 2856466
3-[(3-Chlorophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 2829238
2-[(4-Chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 294983
6-[(2,5-Dichlorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 2930332
2-{[(2,4-Dichlorophenyl)amino]carbonyl}cyclohexanecarboxylic acid
CID 3241970
6-[(3-Chlorophenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 3246802
3-(4-Chloro-benzyl)-N-(2,5-dichloro-phenyl)-succinamic acid
CID 3107437
2-((2-Chlorophenyl)carbamoyl)cyclohexanecarboxylic acid
CID 2838863
2-{[(2,5-Dichlorophenyl)amino]carbonyl}cyclohexanecarboxylic acid
CID 2839323
2-[[2-Chloro-5-(trifluoromethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 3102554
3-[(3,4-Dichlorophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 2834870

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2,3-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 2838184) is 2-[(2,3-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2,3-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(2,3-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is YWMOHGQQVHRBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO3/c15-10-6-3-7-11(12(10)16)17-13(18)8-4-1-2-5-9(8)14(19)20/h3,6-9H,1-2,4-5H2,(H,17,18)(H,19,20).
What are the key properties of 2-[(2,3-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(2,3-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 316.18 g/mol, XLogP of 3.82, 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]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 2838184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).