2-[2-[(3-fluorophenyl)-methylcarbamoyl]indol-1-yl]acetic acid

C18H15FN2O3 — CID 139691943

IUPAC2-[2-[(3-fluorophenyl)-methylcarbamoyl]indol-1-yl]acetic acid
SMILESCN(C(=O)c1cc2ccccc2n1CC(=O)O)c1cccc(F)c1
InChIInChI=1S/C18H15FN2O3/c1-20(14-7-4-6-13(19)10-14)18(24)16-9-12-5-2-3-8-15(12)21(16)11-17(22)23/h2-10H,11H2,1H3,(H,22,23)
InChIKeyOWDWQOBMDAMBEZ-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.14
Rot. Bonds4

About 2-[2-[(3-fluorophenyl)-methylcarbamoyl]indol-1-yl]acetic acid

2-[2-[(3-fluorophenyl)-methylcarbamoyl]indol-1-yl]acetic acid (PubChem CID 139691943) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is 2-[2-[(3-fluorophenyl)-methylcarbamoyl]indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-fluorophenyl)-methylcarbamoyl]indol-1-yl]acetic acid
PubChem CID139691943
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name2-[2-[(3-fluorophenyl)-methylcarbamoyl]indol-1-yl]acetic acid
SMILESCN(C(=O)c1cc2ccccc2n1CC(=O)O)c1cccc(F)c1
InChIInChI=1S/C18H15FN2O3/c1-20(14-7-4-6-13(19)10-14)18(24)16-9-12-5-2-3-8-15(12)21(16)11-17(22)23/h2-10H,11H2,1H3,(H,22,23)
InChIKeyOWDWQOBMDAMBEZ-UHFFFAOYSA-N
XLogP3.14
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]indole-2-carboxylic acid
CID 28600095
1-(2-methylidenebutyl)indole-2-carboxylic acid
CID 66044537
3-benzoyl-N-(3-fluorophenyl)-N-methylbenzamide
CID 18545673
2-(2-propylindol-1-yl)acetic acid
CID 139491348
1-(2-chloroprop-2-enyl)indole-2-carboxylic acid
CID 28600062
2-[methyl-(1-methylindole-2-carbonyl)amino]acetic acid
CID 110834916
2-fluoro-N-(3-fluorophenyl)-6-hydroxy-N-methylbenzamide
CID 104918220
1-ethyl-3-(3-fluorophenyl)-1,3-dimethylurea
CID 116655437
2-[2-[[(2,6-dimethoxy-4-methylphenyl)-pentylcarbamoyl]-methylcarbamoyl]indol-1-yl]acetic acid
CID 67754760
2-[3-[2-cyano-3-(3-fluoro-N-methylanilino)-3-oxoprop-1-enyl]indol-1-yl]acetic acid
CID 67273188
2-[2-[(4-ethyl-7-phenyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-13-yl)-methylcarbamoyl]indol-1-yl]acetic acid
CID 67727921
2-fluoro-N-(3-fluorophenyl)-N-methylpyridine-3-carboxamide
CID 114037685

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-fluorophenyl)-methylcarbamoyl]indol-1-yl]acetic acid?
The IUPAC name of 2-[2-[(3-fluorophenyl)-methylcarbamoyl]indol-1-yl]acetic acid (CID 139691943) is 2-[2-[(3-fluorophenyl)-methylcarbamoyl]indol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[(3-fluorophenyl)-methylcarbamoyl]indol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[(3-fluorophenyl)-methylcarbamoyl]indol-1-yl]acetic acid is CN(C(=O)c1cc2ccccc2n1CC(=O)O)c1cccc(F)c1.
What is the InChIKey of 2-[2-[(3-fluorophenyl)-methylcarbamoyl]indol-1-yl]acetic acid?
The InChIKey is OWDWQOBMDAMBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-20(14-7-4-6-13(19)10-14)18(24)16-9-12-5-2-3-8-15(12)21(16)11-17(22)23/h2-10H,11H2,1H3,(H,22,23).
What are the key properties of 2-[2-[(3-fluorophenyl)-methylcarbamoyl]indol-1-yl]acetic acid?
2-[2-[(3-fluorophenyl)-methylcarbamoyl]indol-1-yl]acetic acid has a molecular weight of 326.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-fluorophenyl)-methylcarbamoyl]indol-1-yl]acetic acid is sourced from PubChem (CID 139691943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).