4-[[2-(2,6-dichlorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid

C18H23Cl2NO3 — CID 120673517

IUPAC4-[[2-(2,6-dichlorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)(CNC(=O)C1CCC(C(=O)O)CC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C18H23Cl2NO3/c1-18(2,15-13(19)4-3-5-14(15)20)10-21-16(22)11-6-8-12(9-7-11)17(23)24/h3-5,11-12H,6-10H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyGLIUTOGGNGQCMC-UHFFFAOYSA-N
MW372.29 g/mol
LogP4.28
Rot. Bonds5

About 4-[[2-(2,6-dichlorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid

4-[[2-(2,6-dichlorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120673517) has the molecular formula C18H23Cl2NO3 and a molecular weight of 372.29 g/mol. Its IUPAC name is 4-[[2-(2,6-dichlorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2,6-dichlorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120673517
Molecular FormulaC18H23Cl2NO3
Molecular Weight372.29 g/mol
Exact Mass371.11
IUPAC Name4-[[2-(2,6-dichlorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)(CNC(=O)C1CCC(C(=O)O)CC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C18H23Cl2NO3/c1-18(2,15-13(19)4-3-5-14(15)20)10-21-16(22)11-6-8-12(9-7-11)17(23)24/h3-5,11-12H,6-10H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyGLIUTOGGNGQCMC-UHFFFAOYSA-N
XLogP4.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[2-(2,6-dichlorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2,6-dichlorophenyl)-2-methylpropyl]piperidine-4-carboxamide;hydrochloride
CID 75429785
4-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673501
2-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]acetamide
CID 119319554
2-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119319553
4-[2-(2,3-dichlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672916
4-[(2-methoxy-2-methylpropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 104764733
4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]pentanamide
CID 120562379
(3R,4S)-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120931393
4-[(3-methyl-2-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784717
4-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63858507
N-tert-butyl-2-(2,6-dichlorophenyl)-2-methylpropan-1-amine
CID 55195552
4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-3-methoxybutanamide
CID 120591825

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,6-dichlorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(2,6-dichlorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 120673517) is 4-[[2-(2,6-dichlorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(2,6-dichlorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(2,6-dichlorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid is CC(C)(CNC(=O)C1CCC(C(=O)O)CC1)c1c(Cl)cccc1Cl.
What is the InChIKey of 4-[[2-(2,6-dichlorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is GLIUTOGGNGQCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2NO3/c1-18(2,15-13(19)4-3-5-14(15)20)10-21-16(22)11-6-8-12(9-7-11)17(23)24/h3-5,11-12H,6-10H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 4-[[2-(2,6-dichlorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid?
4-[[2-(2,6-dichlorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 372.29 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,6-dichlorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120673517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).