6-fluoro-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid

C17H14FNO4 — CID 165438394

IUPAC6-fluoro-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccc(F)cc2N1C(=O)OCc1ccccc1
InChIInChI=1S/C17H14FNO4/c18-13-7-6-12-8-15(16(20)21)19(14(12)9-13)17(22)23-10-11-4-2-1-3-5-11/h1-7,9,15H,8,10H2,(H,20,21)
InChIKeyIQGNWPVRAIBECN-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.98
Rot. Bonds3

About 6-fluoro-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid

6-fluoro-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid (PubChem CID 165438394) has the molecular formula C17H14FNO4 and a molecular weight of 315.30 g/mol. Its IUPAC name is 6-fluoro-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid
PubChem CID165438394
Molecular FormulaC17H14FNO4
Molecular Weight315.30 g/mol
Exact Mass315.09
IUPAC Name6-fluoro-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccc(F)cc2N1C(=O)OCc1ccccc1
InChIInChI=1S/C17H14FNO4/c18-13-7-6-12-8-15(16(20)21)19(14(12)9-13)17(22)23-10-11-4-2-1-3-5-11/h1-7,9,15H,8,10H2,(H,20,21)
InChIKeyIQGNWPVRAIBECN-UHFFFAOYSA-N
XLogP2.98
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid
CID 165438393
4-oxo-1-phenylmethoxycarbonylazetidine-2-carboxylic acid
CID 71382493
(2R)-6-bromo-1-phenylmethoxycarbonyl-3,4-dihydro-2H-quinoline-2-carboxylic acid
CID 154803661
(2R)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 688429
(2R)-5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylic acid
CID 175870480
benzyl 6-bromo-7-fluoro-2-(4-fluorophenyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 132590041
(2R)-1-(2-cyclohexylethoxycarbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 54307744
benzyl 2-[amino(hydroxy)methyl]-2,3-dihydroindole-1-carboxylate
CID 19795229
(2R)-1-[(4-fluorophenyl)methyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid
CID 51440397
(2R)-4-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 34176386
(3S)-7-nitro-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 10570231
benzyl 2-[phenyl(1,3-thiazol-2-yl)carbamoyl]-2,3-dihydroindole-1-carboxylate
CID 90714678

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 6-fluoro-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid (CID 165438394) is 6-fluoro-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 6-fluoro-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 6-fluoro-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid is O=C(O)C1Cc2ccc(F)cc2N1C(=O)OCc1ccccc1.
What is the InChIKey of 6-fluoro-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is IQGNWPVRAIBECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO4/c18-13-7-6-12-8-15(16(20)21)19(14(12)9-13)17(22)23-10-11-4-2-1-3-5-11/h1-7,9,15H,8,10H2,(H,20,21).
What are the key properties of 6-fluoro-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid?
6-fluoro-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 315.30 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 165438394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).