2-[(3-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid

C14H17ClN2O3 — CID 64818167

IUPAC2-[(3-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1cccc(Cl)c1)NC1CCCCC1C(=O)O
InChIInChI=1S/C14H17ClN2O3/c15-9-4-3-5-10(8-9)16-14(20)17-12-7-2-1-6-11(12)13(18)19/h3-5,8,11-12H,1-2,6-7H2,(H,18,19)(H2,16,17,20)
InChIKeyFMPQGBIJOKERCG-UHFFFAOYSA-N
MW296.75 g/mol
LogP3.10
Rot. Bonds3

About 2-[(3-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid

2-[(3-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 64818167) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID64818167
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name2-[(3-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1cccc(Cl)c1)NC1CCCCC1C(=O)O
InChIInChI=1S/C14H17ClN2O3/c15-9-4-3-5-10(8-9)16-14(20)17-12-7-2-1-6-11(12)13(18)19/h3-5,8,11-12H,1-2,6-7H2,(H,18,19)(H2,16,17,20)
InChIKeyFMPQGBIJOKERCG-UHFFFAOYSA-N
XLogP3.10
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 3449806
1-(2-carbamothioylcyclopentyl)-3-(3-chlorophenyl)urea
CID 55152530
2-[(3,5-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64818045
1-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)urea
CID 4064098
1-(3-chlorophenyl)-3-[(1S,2R)-2-[(3,5-dichloro-4-pyridinyl)amino]cyclohexyl]urea
CID 175170753
1-(3-chlorophenyl)-3-[(1R,2R)-2-[(3,5-dichloro-4-pyridinyl)amino]cyclohexyl]urea
CID 134359666
2-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64817286
2-[[2-(3-chlorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64813756
2-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 64815752
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-chlorophenyl)urea
CID 20787787
trans-(1R,2R)-2-[4-[4-[(3-chlorophenyl)carbamoylamino]cyclohexyl]benzoyl]cyclopentane-1-carboxylic acid
CID 24865965
2-[4-[4-[(3-chlorophenyl)carbamoylamino]cyclohexyl]benzoyl]cyclopentane-1-carboxylic acid
CID 69243502

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(3-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 64818167) is 2-[(3-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(3-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid is O=C(Nc1cccc(Cl)c1)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-[(3-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is FMPQGBIJOKERCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c15-9-4-3-5-10(8-9)16-14(20)17-12-7-2-1-6-11(12)13(18)19/h3-5,8,11-12H,1-2,6-7H2,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(3-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
2-[(3-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 296.75 g/mol, XLogP of 3.10, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64818167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).