4-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]cyclohexane-1-carboxylic acid

C17H18Cl2N2O3 — CID 130408441

IUPAC4-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCn1c(C(=O)NC2CCC(C(=O)O)CC2)cc2c(Cl)c(Cl)ccc21
InChIInChI=1S/C17H18Cl2N2O3/c1-21-13-7-6-12(18)15(19)11(13)8-14(21)16(22)20-10-4-2-9(3-5-10)17(23)24/h6-10H,2-5H2,1H3,(H,20,22)(H,23,24)
InChIKeyBHUVWLCMUVGWCD-UHFFFAOYSA-N
MW369.25 g/mol
LogP3.86
Rot. Bonds3

About 4-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 130408441) has the molecular formula C17H18Cl2N2O3 and a molecular weight of 369.25 g/mol. Its IUPAC name is 4-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID130408441
Molecular FormulaC17H18Cl2N2O3
Molecular Weight369.25 g/mol
Exact Mass368.07
IUPAC Name4-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCn1c(C(=O)NC2CCC(C(=O)O)CC2)cc2c(Cl)c(Cl)ccc21
InChIInChI=1S/C17H18Cl2N2O3/c1-21-13-7-6-12(18)15(19)11(13)8-14(21)16(22)20-10-4-2-9(3-5-10)17(23)24/h6-10H,2-5H2,1H3,(H,20,22)(H,23,24)
InChIKeyBHUVWLCMUVGWCD-UHFFFAOYSA-N
XLogP3.86
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 130408441) is 4-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]cyclohexane-1-carboxylic acid is Cn1c(C(=O)NC2CCC(C(=O)O)CC2)cc2c(Cl)c(Cl)ccc21.
What is the InChIKey of 4-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is BHUVWLCMUVGWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3/c1-21-13-7-6-12(18)15(19)11(13)8-14(21)16(22)20-10-4-2-9(3-5-10)17(23)24/h6-10H,2-5H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 4-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 369.25 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dichloro-1-methylindole-2-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 130408441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).