cis-(1S,2R)-2-[(2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid

C14H16ClNO3 — CID 786078

IUPACcis-(1S,2R)-2-[(2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H16ClNO3/c15-11-7-3-4-8-12(11)16-13(17)9-5-1-2-6-10(9)14(18)19/h3-4,7-10H,1-2,5-6H2,(H,16,17)(H,18,19)/t9-,10+/m1/s1
InChIKeyGWTZBHJKEUEFMK-ZJUUUORDSA-N
MW281.74 g/mol
LogP3.17
Rot. Bonds3

About cis-(1S,2R)-2-[(2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid

cis-(1S,2R)-2-[(2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 786078) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID786078
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Namecis-(1S,2R)-2-[(2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H16ClNO3/c15-11-7-3-4-8-12(11)16-13(17)9-5-1-2-6-10(9)14(18)19/h3-4,7-10H,1-2,5-6H2,(H,16,17)(H,18,19)/t9-,10+/m1/s1
InChIKeyGWTZBHJKEUEFMK-ZJUUUORDSA-N
XLogP3.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[(2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 786078) is cis-(1S,2R)-2-[(2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[(2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[(2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1Cl.
What is the InChIKey of cis-(1S,2R)-2-[(2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is GWTZBHJKEUEFMK-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H16ClNO3/c15-11-7-3-4-8-12(11)16-13(17)9-5-1-2-6-10(9)14(18)19/h3-4,7-10H,1-2,5-6H2,(H,16,17)(H,18,19)/t9-,10+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
cis-(1S,2R)-2-[(2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 281.74 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 786078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).