2-(4-chloro-1-propan-2-ylindol-3-yl)-2-methylpropanoic acid

C15H18ClNO2 — CID 117119738

IUPAC2-(4-chloro-1-propan-2-ylindol-3-yl)-2-methylpropanoic acid
SMILESCC(C)n1cc(C(C)(C)C(=O)O)c2c(Cl)cccc21
InChIInChI=1S/C15H18ClNO2/c1-9(2)17-8-10(15(3,4)14(18)19)13-11(16)6-5-7-12(13)17/h5-9H,1-4H3,(H,18,19)
InChIKeyHNOIJNCQZLRBIK-UHFFFAOYSA-N
MW279.77 g/mol
LogP4.24
Rot. Bonds3

About 2-(4-chloro-1-propan-2-ylindol-3-yl)-2-methylpropanoic acid

2-(4-chloro-1-propan-2-ylindol-3-yl)-2-methylpropanoic acid (PubChem CID 117119738) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-(4-chloro-1-propan-2-ylindol-3-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4-chloro-1-propan-2-ylindol-3-yl)-2-methylpropanoic acid
PubChem CID117119738
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name2-(4-chloro-1-propan-2-ylindol-3-yl)-2-methylpropanoic acid
SMILESCC(C)n1cc(C(C)(C)C(=O)O)c2c(Cl)cccc21
InChIInChI=1S/C15H18ClNO2/c1-9(2)17-8-10(15(3,4)14(18)19)13-11(16)6-5-7-12(13)17/h5-9H,1-4H3,(H,18,19)
InChIKeyHNOIJNCQZLRBIK-UHFFFAOYSA-N
XLogP4.24
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-1-propan-2-ylindol-3-yl)ethanone
CID 117119721
2-methyl-2-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid
CID 105480462
2-(4-hydroxy-1-methylindol-3-yl)-2-methylpropanoic acid
CID 117119823
1-propan-2-yl-4-(trifluoromethyl)indole-3-carboxylic acid
CID 117119563
4-chloro-1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indole
CID 117172066
N-[(4-chloro-1-propan-2-ylindol-3-yl)methyl]cyclopropanamine
CID 117171695
5,7-dichloro-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid
CID 82252234
3-(4-chloro-1-propan-2-ylindol-2-yl)-2,2-dimethylpropanoic acid
CID 117194534
2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid
CID 115072918
2-[4-(3-chlorophenyl)phenyl]-2-methylpropanoic acid
CID 10236331
5-chloro-4-methyl-2-propan-2-ylisoquinolin-1-one
CID 115041211
3-(4-fluoro-1-propan-2-ylindol-3-yl)propanoic acid
CID 117119748

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-propan-2-ylindol-3-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(4-chloro-1-propan-2-ylindol-3-yl)-2-methylpropanoic acid (CID 117119738) is 2-(4-chloro-1-propan-2-ylindol-3-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(4-chloro-1-propan-2-ylindol-3-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(4-chloro-1-propan-2-ylindol-3-yl)-2-methylpropanoic acid is CC(C)n1cc(C(C)(C)C(=O)O)c2c(Cl)cccc21.
What is the InChIKey of 2-(4-chloro-1-propan-2-ylindol-3-yl)-2-methylpropanoic acid?
The InChIKey is HNOIJNCQZLRBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-9(2)17-8-10(15(3,4)14(18)19)13-11(16)6-5-7-12(13)17/h5-9H,1-4H3,(H,18,19).
What are the key properties of 2-(4-chloro-1-propan-2-ylindol-3-yl)-2-methylpropanoic acid?
2-(4-chloro-1-propan-2-ylindol-3-yl)-2-methylpropanoic acid has a molecular weight of 279.77 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-propan-2-ylindol-3-yl)-2-methylpropanoic acid is sourced from PubChem (CID 117119738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).