1-[(3-fluorophenyl)methyl]-7-methylindole-2-carboxylic acid

C17H14FNO2 — CID 83968451

IUPAC1-[(3-fluorophenyl)methyl]-7-methylindole-2-carboxylic acid
SMILESCc1cccc2cc(C(=O)O)n(Cc3cccc(F)c3)c12
InChIInChI=1S/C17H14FNO2/c1-11-4-2-6-13-9-15(17(20)21)19(16(11)13)10-12-5-3-7-14(18)8-12/h2-9H,10H2,1H3,(H,20,21)
InChIKeyMKMAXFUKOJJKOI-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.84
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]-7-methylindole-2-carboxylic acid

1-[(3-fluorophenyl)methyl]-7-methylindole-2-carboxylic acid (PubChem CID 83968451) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-7-methylindole-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-7-methylindole-2-carboxylic acid
PubChem CID83968451
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name1-[(3-fluorophenyl)methyl]-7-methylindole-2-carboxylic acid
SMILESCc1cccc2cc(C(=O)O)n(Cc3cccc(F)c3)c12
InChIInChI=1S/C17H14FNO2/c1-11-4-2-6-13-9-15(17(20)21)19(16(11)13)10-12-5-3-7-14(18)8-12/h2-9H,10H2,1H3,(H,20,21)
InChIKeyMKMAXFUKOJJKOI-UHFFFAOYSA-N
XLogP3.84
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxylic acid
CID 57431513
1-[(3-fluorophenyl)methyl]-5-iodoindole-2-carboxylic acid
CID 66850442
1-benzyl-5,7-dimethylindole-2-carboxylic acid
CID 83968494
1-[(8-methylnaphthalen-2-yl)methyl]indole-2-carboxylic acid
CID 23582813
5-[(3-fluorophenyl)methyl]-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene-4-carboxylic acid
CID 118159806
1-[(3-chlorophenyl)methyl]-6-fluoroindole-2-carboxylic acid
CID 22310949
4-ethoxy-1-[(3-fluorophenyl)methyl]indole-2-carboxylic acid
CID 42803250
5-fluoro-1-[(3-nitrophenyl)methyl]indole-2-carboxylic acid
CID 22310932
1-[(3-chlorophenyl)methyl]indole-2-carboxylic acid
CID 22310877
ethyl 1-[(3-fluorophenyl)methyl]-5-iodoindole-2-carboxylate
CID 66850777
1-benzyl-7-methyl-2-phenylindole
CID 155931625
4-chloro-1-[(3-fluorophenyl)methyl]pyrrole-2-carboxylic acid
CID 114603713

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-7-methylindole-2-carboxylic acid?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-7-methylindole-2-carboxylic acid (CID 83968451) is 1-[(3-fluorophenyl)methyl]-7-methylindole-2-carboxylic acid.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-7-methylindole-2-carboxylic acid?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-7-methylindole-2-carboxylic acid is Cc1cccc2cc(C(=O)O)n(Cc3cccc(F)c3)c12.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-7-methylindole-2-carboxylic acid?
The InChIKey is MKMAXFUKOJJKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-11-4-2-6-13-9-15(17(20)21)19(16(11)13)10-12-5-3-7-14(18)8-12/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of 1-[(3-fluorophenyl)methyl]-7-methylindole-2-carboxylic acid?
1-[(3-fluorophenyl)methyl]-7-methylindole-2-carboxylic acid has a molecular weight of 283.30 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-7-methylindole-2-carboxylic acid is sourced from PubChem (CID 83968451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).