N-[2-(2-fluorophenyl)ethyl]-6-methyl-1H-indole-2-carboxamide

C18H17FN2O — CID 113207305

IUPACN-[2-(2-fluorophenyl)ethyl]-6-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NCCc3ccccc3F)[nH]c2c1
InChIInChI=1S/C18H17FN2O/c1-12-6-7-14-11-17(21-16(14)10-12)18(22)20-9-8-13-4-2-3-5-15(13)19/h2-7,10-11,21H,8-9H2,1H3,(H,20,22)
InChIKeyNIOUIZJTMFYIFP-UHFFFAOYSA-N
MW296.34 g/mol
LogP3.59
Rot. Bonds4

About N-[2-(2-fluorophenyl)ethyl]-6-methyl-1H-indole-2-carboxamide

N-[2-(2-fluorophenyl)ethyl]-6-methyl-1H-indole-2-carboxamide (PubChem CID 113207305) has the molecular formula C18H17FN2O and a molecular weight of 296.34 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-6-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-6-methyl-1H-indole-2-carboxamide
PubChem CID113207305
Molecular FormulaC18H17FN2O
Molecular Weight296.34 g/mol
Exact Mass296.13
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-6-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NCCc3ccccc3F)[nH]c2c1
InChIInChI=1S/C18H17FN2O/c1-12-6-7-14-11-17(21-16(14)10-12)18(22)20-9-8-13-4-2-3-5-15(13)19/h2-7,10-11,21H,8-9H2,1H3,(H,20,22)
InChIKeyNIOUIZJTMFYIFP-UHFFFAOYSA-N
XLogP3.59
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-methyl-1H-indole-2-carboxamide
CID 55555806
N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 9374796
N-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 36704078
6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1H-indole-2-carboxamide
CID 55555913
N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbenzamide
CID 7080098
6-fluoro-N-(3-phenylpropyl)-1H-indole-2-carboxamide
CID 113207440
N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]pyridine-2-carboxamide
CID 110662758
N-(2,6-dimethylphenyl)-6-methyl-1H-indole-2-carboxamide
CID 113207344
N-(2-hydroxyethyl)-5-methyl-1H-indole-2-carboxamide
CID 89488958
1-[2-(2-fluorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 108900009
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
N-[2-(2-fluorophenyl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 70767353

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-6-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-6-methyl-1H-indole-2-carboxamide (CID 113207305) is N-[2-(2-fluorophenyl)ethyl]-6-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-6-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-6-methyl-1H-indole-2-carboxamide is Cc1ccc2cc(C(=O)NCCc3ccccc3F)[nH]c2c1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-6-methyl-1H-indole-2-carboxamide?
The InChIKey is NIOUIZJTMFYIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-12-6-7-14-11-17(21-16(14)10-12)18(22)20-9-8-13-4-2-3-5-15(13)19/h2-7,10-11,21H,8-9H2,1H3,(H,20,22).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-6-methyl-1H-indole-2-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-6-methyl-1H-indole-2-carboxamide has a molecular weight of 296.34 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-6-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 113207305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).