4-chloro-N-(4-hydroxycyclohexyl)-3,3-dimethyl-2H-indole-1-carboxamide

C17H23ClN2O2 — CID 154805737

IUPAC4-chloro-N-(4-hydroxycyclohexyl)-3,3-dimethyl-2H-indole-1-carboxamide
SMILESCC1(C)CN(C(=O)NC2CCC(O)CC2)c2cccc(Cl)c21
InChIInChI=1S/C17H23ClN2O2/c1-17(2)10-20(14-5-3-4-13(18)15(14)17)16(22)19-11-6-8-12(21)9-7-11/h3-5,11-12,21H,6-10H2,1-2H3,(H,19,22)
InChIKeyGIKSLMSWBWTYBK-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.45
Rot. Bonds1

About 4-chloro-N-(4-hydroxycyclohexyl)-3,3-dimethyl-2H-indole-1-carboxamide

4-chloro-N-(4-hydroxycyclohexyl)-3,3-dimethyl-2H-indole-1-carboxamide (PubChem CID 154805737) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 4-chloro-N-(4-hydroxycyclohexyl)-3,3-dimethyl-2H-indole-1-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-hydroxycyclohexyl)-3,3-dimethyl-2H-indole-1-carboxamide
PubChem CID154805737
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name4-chloro-N-(4-hydroxycyclohexyl)-3,3-dimethyl-2H-indole-1-carboxamide
SMILESCC1(C)CN(C(=O)NC2CCC(O)CC2)c2cccc(Cl)c21
InChIInChI=1S/C17H23ClN2O2/c1-17(2)10-20(14-5-3-4-13(18)15(14)17)16(22)19-11-6-8-12(21)9-7-11/h3-5,11-12,21H,6-10H2,1-2H3,(H,19,22)
InChIKeyGIKSLMSWBWTYBK-UHFFFAOYSA-N
XLogP3.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-chloro-3,3-dimethyl-2H-indole-1-carbonyl)amino]butanoic acid
CID 122021381
2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-N-(1-hydroxypropan-2-yl)-2-oxoacetamide
CID 110910413
6-[2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]piperidin-2-one
CID 126802115
1-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119760143
2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-N-(3-hydroxybutyl)-2-oxoacetamide
CID 111337514
4-amino-1-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-3-methoxybutan-1-one
CID 120590863
2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-N-(4-hydroxy-2-methylbutyl)-2-oxoacetamide
CID 111491029
2-amino-1-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-4-methylsulfanylbutan-1-one
CID 154747250
4-[2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]-2-methylpiperazine-1-carboxylic acid
CID 70980445
1-(3-chloro-2-ethoxyphenyl)-3-(4-hydroxycyclohexyl)urea
CID 110902856
(4-chloro-3,3-dimethyl-2H-indol-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 71995010
[(2R)-4-[2-(4-chloro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-yl] 2,2-dimethylpropanoate
CID 174710261

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-hydroxycyclohexyl)-3,3-dimethyl-2H-indole-1-carboxamide?
The IUPAC name of 4-chloro-N-(4-hydroxycyclohexyl)-3,3-dimethyl-2H-indole-1-carboxamide (CID 154805737) is 4-chloro-N-(4-hydroxycyclohexyl)-3,3-dimethyl-2H-indole-1-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-hydroxycyclohexyl)-3,3-dimethyl-2H-indole-1-carboxamide?
The canonical SMILES for 4-chloro-N-(4-hydroxycyclohexyl)-3,3-dimethyl-2H-indole-1-carboxamide is CC1(C)CN(C(=O)NC2CCC(O)CC2)c2cccc(Cl)c21.
What is the InChIKey of 4-chloro-N-(4-hydroxycyclohexyl)-3,3-dimethyl-2H-indole-1-carboxamide?
The InChIKey is GIKSLMSWBWTYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-17(2)10-20(14-5-3-4-13(18)15(14)17)16(22)19-11-6-8-12(21)9-7-11/h3-5,11-12,21H,6-10H2,1-2H3,(H,19,22).
What are the key properties of 4-chloro-N-(4-hydroxycyclohexyl)-3,3-dimethyl-2H-indole-1-carboxamide?
4-chloro-N-(4-hydroxycyclohexyl)-3,3-dimethyl-2H-indole-1-carboxamide has a molecular weight of 322.84 g/mol, XLogP of 3.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-hydroxycyclohexyl)-3,3-dimethyl-2H-indole-1-carboxamide is sourced from PubChem (CID 154805737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).