2-[1-benzoyl-5-methoxy-4-(trifluoromethyl)indol-3-yl]acetic acid

C19H14F3NO4 — CID 19696994

IUPAC2-[1-benzoyl-5-methoxy-4-(trifluoromethyl)indol-3-yl]acetic acid
SMILESCOc1ccc2c(c(CC(=O)O)cn2C(=O)c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C19H14F3NO4/c1-27-14-8-7-13-16(17(14)19(20,21)22)12(9-15(24)25)10-23(13)18(26)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,24,25)
InChIKeyOMNKMFYNZXSUEZ-UHFFFAOYSA-N
MW377.32 g/mol
LogP3.98
Rot. Bonds4

About 2-[1-benzoyl-5-methoxy-4-(trifluoromethyl)indol-3-yl]acetic acid

2-[1-benzoyl-5-methoxy-4-(trifluoromethyl)indol-3-yl]acetic acid (PubChem CID 19696994) has the molecular formula C19H14F3NO4 and a molecular weight of 377.32 g/mol. Its IUPAC name is 2-[1-benzoyl-5-methoxy-4-(trifluoromethyl)indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-benzoyl-5-methoxy-4-(trifluoromethyl)indol-3-yl]acetic acid
PubChem CID19696994
Molecular FormulaC19H14F3NO4
Molecular Weight377.32 g/mol
Exact Mass377.09
IUPAC Name2-[1-benzoyl-5-methoxy-4-(trifluoromethyl)indol-3-yl]acetic acid
SMILESCOc1ccc2c(c(CC(=O)O)cn2C(=O)c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C19H14F3NO4/c1-27-14-8-7-13-16(17(14)19(20,21)22)12(9-15(24)25)10-23(13)18(26)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,24,25)
InChIKeyOMNKMFYNZXSUEZ-UHFFFAOYSA-N
XLogP3.98
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-benzoyl-4-(trifluoromethyl)indol-3-yl]acetic acid
CID 19696997
2-[1-benzoyl-5-(dimethylamino)-4-(trifluoromethyl)indol-3-yl]acetaldehyde
CID 57035996
[1-benzoyl-5-hydroxy-4-(trifluoromethyl)indol-3-yl] acetate
CID 57250127
2-[1-[4-(trifluoromethyl)benzoyl]indol-3-yl]acetic acid
CID 162537823
2-[1-(furan-2-carbonyl)-5-nitro-4-(trifluoromethyl)indol-3-yl]acetic acid
CID 154205121
2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]acetic acid
CID 84693330
N-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene
CID 88607417
2-(4-methoxy-1-methylindol-3-yl)acetic acid
CID 82278588
2-[benzoyl-[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbonyl]amino]acetic acid
CID 14621620
[3-(bromomethyl)indol-1-yl]-phenylmethanone
CID 14948482
methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-4-(trifluoromethyl)indol-3-yl]acetate
CID 46214115
[4-methoxy-3-phenyl-2-(trifluoromethyl)phenyl]methanol
CID 91500100

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzoyl-5-methoxy-4-(trifluoromethyl)indol-3-yl]acetic acid?
The IUPAC name of 2-[1-benzoyl-5-methoxy-4-(trifluoromethyl)indol-3-yl]acetic acid (CID 19696994) is 2-[1-benzoyl-5-methoxy-4-(trifluoromethyl)indol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-benzoyl-5-methoxy-4-(trifluoromethyl)indol-3-yl]acetic acid?
The canonical SMILES for 2-[1-benzoyl-5-methoxy-4-(trifluoromethyl)indol-3-yl]acetic acid is COc1ccc2c(c(CC(=O)O)cn2C(=O)c2ccccc2)c1C(F)(F)F.
What is the InChIKey of 2-[1-benzoyl-5-methoxy-4-(trifluoromethyl)indol-3-yl]acetic acid?
The InChIKey is OMNKMFYNZXSUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO4/c1-27-14-8-7-13-16(17(14)19(20,21)22)12(9-15(24)25)10-23(13)18(26)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,24,25).
What are the key properties of 2-[1-benzoyl-5-methoxy-4-(trifluoromethyl)indol-3-yl]acetic acid?
2-[1-benzoyl-5-methoxy-4-(trifluoromethyl)indol-3-yl]acetic acid has a molecular weight of 377.32 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzoyl-5-methoxy-4-(trifluoromethyl)indol-3-yl]acetic acid is sourced from PubChem (CID 19696994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).