N-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide

C18H17FN2O — CID 36704078

IUPACN-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NCCc3ccc(F)cc3)cc2c1
InChIInChI=1S/C18H17FN2O/c1-12-2-7-16-14(10-12)11-17(21-16)18(22)20-9-8-13-3-5-15(19)6-4-13/h2-7,10-11,21H,8-9H2,1H3,(H,20,22)
InChIKeyNBJCLPWMZVXYFA-UHFFFAOYSA-N
MW296.34 g/mol
LogP3.59
Rot. Bonds4

About N-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide

N-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide (PubChem CID 36704078) has the molecular formula C18H17FN2O and a molecular weight of 296.34 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
PubChem CID36704078
Molecular FormulaC18H17FN2O
Molecular Weight296.34 g/mol
Exact Mass296.13
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NCCc3ccc(F)cc3)cc2c1
InChIInChI=1S/C18H17FN2O/c1-12-2-7-16-14(10-12)11-17(21-16)18(22)20-9-8-13-3-5-15(19)6-4-13/h2-7,10-11,21H,8-9H2,1H3,(H,20,22)
InChIKeyNBJCLPWMZVXYFA-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-hydroxyethyl)-5-methyl-1H-indole-2-carboxamide
CID 89488958
N-[3-(dimethylamino)propyl]-5-methyl-1H-indole-2-carboxamide
CID 113207116
N-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]-5-methyl-1H-indole-2-carboxamide
CID 10271027
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide
CID 46474467
N-[2-(4-fluorophenyl)ethyl]-3,6-dimethyl-1H-indole-2-carboxamide
CID 113204989
5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide
CID 4011828
N-[2-(2-fluorophenyl)ethyl]-6-methyl-1H-indole-2-carboxamide
CID 113207305
5-fluoro-N-(2-thiophen-2-ylethyl)-1H-indole-2-carboxamide
CID 46555986
N-[[4-(methanesulfonamido)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide
CID 47057856
ethyl 4-[(5-fluoro-1H-indole-2-carbonyl)amino]butanoate
CID 37254903
N-[2-(4-methoxyphenyl)ethyl]-5-nitro-1H-indole-2-carboxamide
CID 127051943
N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane
CID 144936015

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide (CID 36704078) is N-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)NCCc3ccc(F)cc3)cc2c1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide?
The InChIKey is NBJCLPWMZVXYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-12-2-7-16-14(10-12)11-17(21-16)18(22)20-9-8-13-3-5-15(19)6-4-13/h2-7,10-11,21H,8-9H2,1H3,(H,20,22).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-5-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-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 36704078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).