2-[(5-methoxy-1H-indol-3-yl)methylamino]-2-[3-(trifluoromethyl)phenyl]acetic acid

C19H17F3N2O3 — CID 70356145

IUPAC2-[(5-methoxy-1H-indol-3-yl)methylamino]-2-[3-(trifluoromethyl)phenyl]acetic acid
SMILESCOc1ccc2[nH]cc(CNC(C(=O)O)c3cccc(C(F)(F)F)c3)c2c1
InChIInChI=1S/C19H17F3N2O3/c1-27-14-5-6-16-15(8-14)12(9-23-16)10-24-17(18(25)26)11-3-2-4-13(7-11)19(20,21)22/h2-9,17,23-24H,10H2,1H3,(H,25,26)
InChIKeyNCJOZQRTPINMHO-UHFFFAOYSA-N
MW378.35 g/mol
LogP4.11
Rot. Bonds6

About 2-[(5-methoxy-1H-indol-3-yl)methylamino]-2-[3-(trifluoromethyl)phenyl]acetic acid

2-[(5-methoxy-1H-indol-3-yl)methylamino]-2-[3-(trifluoromethyl)phenyl]acetic acid (PubChem CID 70356145) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is 2-[(5-methoxy-1H-indol-3-yl)methylamino]-2-[3-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[(5-methoxy-1H-indol-3-yl)methylamino]-2-[3-(trifluoromethyl)phenyl]acetic acid
PubChem CID70356145
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC Name2-[(5-methoxy-1H-indol-3-yl)methylamino]-2-[3-(trifluoromethyl)phenyl]acetic acid
SMILESCOc1ccc2[nH]cc(CNC(C(=O)O)c3cccc(C(F)(F)F)c3)c2c1
InChIInChI=1S/C19H17F3N2O3/c1-27-14-5-6-16-15(8-14)12(9-23-16)10-24-17(18(25)26)11-3-2-4-13(7-11)19(20,21)22/h2-9,17,23-24H,10H2,1H3,(H,25,26)
InChIKeyNCJOZQRTPINMHO-UHFFFAOYSA-N
XLogP4.11
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-(5-methoxy-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 83284963
2-(5-methoxy-1H-indol-3-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 75365778
3-(5-methoxy-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 91635014
2-(2-methoxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 62541567
1-phenylethyl 2-(5-methoxy-1H-indol-3-yl)acetate
CID 78873695
N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide
CID 71554009
methyl 2-(5-methoxy-1H-indol-3-yl)-2-[N-methyl-3-(trifluoromethyl)anilino]acetate
CID 19796739
2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876
(2S)-2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid
CID 175665456
(2R)-3-(5-methoxy-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 54263574
5-methoxy-3-(3,3,3-trifluoropropyl)-1H-indole
CID 102104245
N-(2-hydroxypropyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78872247

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-1H-indol-3-yl)methylamino]-2-[3-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-[(5-methoxy-1H-indol-3-yl)methylamino]-2-[3-(trifluoromethyl)phenyl]acetic acid (CID 70356145) is 2-[(5-methoxy-1H-indol-3-yl)methylamino]-2-[3-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[(5-methoxy-1H-indol-3-yl)methylamino]-2-[3-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-[(5-methoxy-1H-indol-3-yl)methylamino]-2-[3-(trifluoromethyl)phenyl]acetic acid is COc1ccc2[nH]cc(CNC(C(=O)O)c3cccc(C(F)(F)F)c3)c2c1.
What is the InChIKey of 2-[(5-methoxy-1H-indol-3-yl)methylamino]-2-[3-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is NCJOZQRTPINMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c1-27-14-5-6-16-15(8-14)12(9-23-16)10-24-17(18(25)26)11-3-2-4-13(7-11)19(20,21)22/h2-9,17,23-24H,10H2,1H3,(H,25,26).
What are the key properties of 2-[(5-methoxy-1H-indol-3-yl)methylamino]-2-[3-(trifluoromethyl)phenyl]acetic acid?
2-[(5-methoxy-1H-indol-3-yl)methylamino]-2-[3-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 378.35 g/mol, XLogP of 4.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-1H-indol-3-yl)methylamino]-2-[3-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 70356145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).