1-[(5-chloro-2-cyclobutyloxyphenyl)methyl]-2-oxo-3H-indole-4-carboxylic acid

C20H18ClNO4 — CID 89444723

IUPAC1-[(5-chloro-2-cyclobutyloxyphenyl)methyl]-2-oxo-3H-indole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1CC(=O)N2Cc1cc(Cl)ccc1OC1CCC1
InChIInChI=1S/C20H18ClNO4/c21-13-7-8-18(26-14-3-1-4-14)12(9-13)11-22-17-6-2-5-15(20(24)25)16(17)10-19(22)23/h2,5-9,14H,1,3-4,10-11H2,(H,24,25)
InChIKeyDYAZGRLKOVMFRG-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.06
Rot. Bonds5

About 1-[(5-chloro-2-cyclobutyloxyphenyl)methyl]-2-oxo-3H-indole-4-carboxylic acid

1-[(5-chloro-2-cyclobutyloxyphenyl)methyl]-2-oxo-3H-indole-4-carboxylic acid (PubChem CID 89444723) has the molecular formula C20H18ClNO4 and a molecular weight of 371.82 g/mol. Its IUPAC name is 1-[(5-chloro-2-cyclobutyloxyphenyl)methyl]-2-oxo-3H-indole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(5-chloro-2-cyclobutyloxyphenyl)methyl]-2-oxo-3H-indole-4-carboxylic acid
PubChem CID89444723
Molecular FormulaC20H18ClNO4
Molecular Weight371.82 g/mol
Exact Mass371.09
IUPAC Name1-[(5-chloro-2-cyclobutyloxyphenyl)methyl]-2-oxo-3H-indole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1CC(=O)N2Cc1cc(Cl)ccc1OC1CCC1
InChIInChI=1S/C20H18ClNO4/c21-13-7-8-18(26-14-3-1-4-14)12(9-13)11-22-17-6-2-5-15(20(24)25)16(17)10-19(22)23/h2,5-9,14H,1,3-4,10-11H2,(H,24,25)
InChIKeyDYAZGRLKOVMFRG-UHFFFAOYSA-N
XLogP4.06
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-2-cyclopentyloxyphenyl)methyl]indole-4-carboxylic acid
CID 89444476
5-chloro-2-cyclohexyloxybenzoic acid
CID 43141867
1-[(5-chloro-2-cyclobutyloxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 89444200
4-chloro-2-cyclobutyloxybenzoic acid
CID 63082704
methyl 1-[(5-chloro-2-cyclobutyloxyphenyl)methyl]indole-4-carboxylate
CID 129068902
4-chloro-2-cyclohexyloxybenzoic acid
CID 61379499
2-[(5-chloro-2-cyclopentyloxyphenyl)methyl-methylamino]propanoic acid
CID 122036987
4-chloro-2-(chloromethyl)-1-cyclopentyloxybenzene
CID 43141955
sodium 1-[[5-chloro-2-(cyclobutylmethoxy)phenyl]methyl]-3,4-dihydro-2H-quinoline-5-carboxylate
CID 129068971
1-[(5-chloro-2-cyclobutyloxyphenyl)methyl]-N-(2,6-difluorophenyl)pyrazole-3-carboxamide
CID 66725563
4-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid
CID 89444570
4-amino-4-(5-chloro-2-cyclobutyloxyphenyl)butanoic acid
CID 117456098

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-cyclobutyloxyphenyl)methyl]-2-oxo-3H-indole-4-carboxylic acid?
The IUPAC name of 1-[(5-chloro-2-cyclobutyloxyphenyl)methyl]-2-oxo-3H-indole-4-carboxylic acid (CID 89444723) is 1-[(5-chloro-2-cyclobutyloxyphenyl)methyl]-2-oxo-3H-indole-4-carboxylic acid.
What is the SMILES notation for 1-[(5-chloro-2-cyclobutyloxyphenyl)methyl]-2-oxo-3H-indole-4-carboxylic acid?
The canonical SMILES for 1-[(5-chloro-2-cyclobutyloxyphenyl)methyl]-2-oxo-3H-indole-4-carboxylic acid is O=C(O)c1cccc2c1CC(=O)N2Cc1cc(Cl)ccc1OC1CCC1.
What is the InChIKey of 1-[(5-chloro-2-cyclobutyloxyphenyl)methyl]-2-oxo-3H-indole-4-carboxylic acid?
The InChIKey is DYAZGRLKOVMFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO4/c21-13-7-8-18(26-14-3-1-4-14)12(9-13)11-22-17-6-2-5-15(20(24)25)16(17)10-19(22)23/h2,5-9,14H,1,3-4,10-11H2,(H,24,25).
What are the key properties of 1-[(5-chloro-2-cyclobutyloxyphenyl)methyl]-2-oxo-3H-indole-4-carboxylic acid?
1-[(5-chloro-2-cyclobutyloxyphenyl)methyl]-2-oxo-3H-indole-4-carboxylic acid has a molecular weight of 371.82 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-cyclobutyloxyphenyl)methyl]-2-oxo-3H-indole-4-carboxylic acid is sourced from PubChem (CID 89444723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).