1-[(4-fluorophenyl)methyl]indole-7-carboxylic acid

C16H12FNO2 — CID 58125316

IUPAC1-[(4-fluorophenyl)methyl]indole-7-carboxylic acid
SMILESO=C(O)c1cccc2ccn(Cc3ccc(F)cc3)c12
InChIInChI=1S/C16H12FNO2/c17-13-6-4-11(5-7-13)10-18-9-8-12-2-1-3-14(15(12)18)16(19)20/h1-9H,10H2,(H,19,20)
InChIKeyBXNOMGFEEJUFCD-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.53
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]indole-7-carboxylic acid

1-[(4-fluorophenyl)methyl]indole-7-carboxylic acid (PubChem CID 58125316) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]indole-7-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]indole-7-carboxylic acid
PubChem CID58125316
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name1-[(4-fluorophenyl)methyl]indole-7-carboxylic acid
SMILESO=C(O)c1cccc2ccn(Cc3ccc(F)cc3)c12
InChIInChI=1S/C16H12FNO2/c17-13-6-4-11(5-7-13)10-18-9-8-12-2-1-3-14(15(12)18)16(19)20/h1-9H,10H2,(H,19,20)
InChIKeyBXNOMGFEEJUFCD-UHFFFAOYSA-N
XLogP3.53
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-pyridin-3-ylphenyl)methyl]indole-7-carboxylic acid
CID 58306802
1-(quinolin-7-ylmethyl)indole-7-carboxylic acid
CID 58306698
2-ethyl-1-[(4-fluorophenyl)methyl]pyrrole-3-carboxylic acid
CID 84618057
1-(1,3-thiazol-5-ylmethyl)indole-7-carboxylic acid
CID 112641095
2-(1-benzylindol-7-yl)acetic acid
CID 115107342
1-(2-ethylbutyl)indole-7-carboxylic acid
CID 82928947
2-[(4-fluorophenyl)methyl]isoquinolin-1-one
CID 9354445
1-[(4-chlorophenyl)methyl]-N-cyclopropylindole-7-carboxamide
CID 175076965
4-[(1R)-1-[[1-[(4-chlorophenyl)methyl]indole-7-carbonyl]amino]-2-hydroxyethyl]benzoic acid
CID 58306544
1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxylic acid
CID 142731680
1-(4-methoxy-4-oxobutyl)indole-7-carboxylic acid
CID 102911584
2-[[1-[(4-chlorophenyl)methyl]indole-7-carbonyl]amino]hexanoic acid
CID 70799090

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]indole-7-carboxylic acid?
The IUPAC name of 1-[(4-fluorophenyl)methyl]indole-7-carboxylic acid (CID 58125316) is 1-[(4-fluorophenyl)methyl]indole-7-carboxylic acid.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]indole-7-carboxylic acid?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]indole-7-carboxylic acid is O=C(O)c1cccc2ccn(Cc3ccc(F)cc3)c12.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]indole-7-carboxylic acid?
The InChIKey is BXNOMGFEEJUFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c17-13-6-4-11(5-7-13)10-18-9-8-12-2-1-3-14(15(12)18)16(19)20/h1-9H,10H2,(H,19,20).
What are the key properties of 1-[(4-fluorophenyl)methyl]indole-7-carboxylic acid?
1-[(4-fluorophenyl)methyl]indole-7-carboxylic acid has a molecular weight of 269.28 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]indole-7-carboxylic acid is sourced from PubChem (CID 58125316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).