(4-chloro-1H-indol-3-yl)-(2,2-dimethylcyclopentyl)methanone

C16H18ClNO — CID 107176610

IUPAC(4-chloro-1H-indol-3-yl)-(2,2-dimethylcyclopentyl)methanone
SMILESCC1(C)CCCC1C(=O)c1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C16H18ClNO/c1-16(2)8-4-5-11(16)15(19)10-9-18-13-7-3-6-12(17)14(10)13/h3,6-7,9,11,18H,4-5,8H2,1-2H3
InChIKeyOHAJSASZWAZTGJ-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.83
Rot. Bonds2

About (4-chloro-1H-indol-3-yl)-(2,2-dimethylcyclopentyl)methanone

(4-chloro-1H-indol-3-yl)-(2,2-dimethylcyclopentyl)methanone (PubChem CID 107176610) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is (4-chloro-1H-indol-3-yl)-(2,2-dimethylcyclopentyl)methanone.

Molecular Properties

Compound Name(4-chloro-1H-indol-3-yl)-(2,2-dimethylcyclopentyl)methanone
PubChem CID107176610
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name(4-chloro-1H-indol-3-yl)-(2,2-dimethylcyclopentyl)methanone
SMILESCC1(C)CCCC1C(=O)c1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C16H18ClNO/c1-16(2)8-4-5-11(16)15(19)10-9-18-13-7-3-6-12(17)14(10)13/h3,6-7,9,11,18H,4-5,8H2,1-2H3
InChIKeyOHAJSASZWAZTGJ-UHFFFAOYSA-N
XLogP4.83
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4-chloro-1H-indol-3-yl)-(2,2-dimethylcyclopentyl)methanone 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

(2,2-dimethylcyclohexyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 107176683
(6-chloro-1H-indol-3-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107176419
(2,2-dimethylcyclopentyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 107176420
1-(4-chloro-1H-indol-3-yl)-2-cyclobutylethanone
CID 103162533
(4-chloro-1H-indol-3-yl)-(3-methyloxan-4-yl)methanone
CID 114241084
(6-bromo-1H-indol-3-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107176496
(5-bromo-1H-indol-3-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107176382
(2,3-difluorophenyl)-(2,2-dimethylcyclopentyl)methanone
CID 107186982
4-chloro-N-[(3,3-difluorocyclohexyl)methyl]-1H-indole-3-carboxamide
CID 160755750
1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;ethane
CID 145106752
4-chloro-N-[(4,4-difluorocyclohexyl)methyl]-1H-indole-3-carboxamide
CID 121393354
2-[(2R)-2-(4-chloro-1H-indole-3-carbonyl)pyrrolidin-1-yl]-1-phenylethanone
CID 166692220

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-indol-3-yl)-(2,2-dimethylcyclopentyl)methanone?
The IUPAC name of (4-chloro-1H-indol-3-yl)-(2,2-dimethylcyclopentyl)methanone (CID 107176610) is (4-chloro-1H-indol-3-yl)-(2,2-dimethylcyclopentyl)methanone.
What is the SMILES notation for (4-chloro-1H-indol-3-yl)-(2,2-dimethylcyclopentyl)methanone?
The canonical SMILES for (4-chloro-1H-indol-3-yl)-(2,2-dimethylcyclopentyl)methanone is CC1(C)CCCC1C(=O)c1c[nH]c2cccc(Cl)c12.
What is the InChIKey of (4-chloro-1H-indol-3-yl)-(2,2-dimethylcyclopentyl)methanone?
The InChIKey is OHAJSASZWAZTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-16(2)8-4-5-11(16)15(19)10-9-18-13-7-3-6-12(17)14(10)13/h3,6-7,9,11,18H,4-5,8H2,1-2H3.
What are the key properties of (4-chloro-1H-indol-3-yl)-(2,2-dimethylcyclopentyl)methanone?
(4-chloro-1H-indol-3-yl)-(2,2-dimethylcyclopentyl)methanone has a molecular weight of 275.78 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-indol-3-yl)-(2,2-dimethylcyclopentyl)methanone is sourced from PubChem (CID 107176610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).