ethane;N-ethyl-5-(4-fluorophenyl)-1H-indole-3-carboxamide

C19H21FN2O — CID 142425851

IUPACethane;N-ethyl-5-(4-fluorophenyl)-1H-indole-3-carboxamide
SMILESCC.CCNC(=O)c1c[nH]c2ccc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C17H15FN2O.C2H6/c1-2-19-17(21)15-10-20-16-8-5-12(9-14(15)16)11-3-6-13(18)7-4-11;1-2/h3-10,20H,2H2,1H3,(H,19,21);1-2H3
InChIKeyZZLCVHNEYPKKCC-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.75
Rot. Bonds3

About ethane;N-ethyl-5-(4-fluorophenyl)-1H-indole-3-carboxamide

ethane;N-ethyl-5-(4-fluorophenyl)-1H-indole-3-carboxamide (PubChem CID 142425851) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is ethane;N-ethyl-5-(4-fluorophenyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Nameethane;N-ethyl-5-(4-fluorophenyl)-1H-indole-3-carboxamide
PubChem CID142425851
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Nameethane;N-ethyl-5-(4-fluorophenyl)-1H-indole-3-carboxamide
SMILESCC.CCNC(=O)c1c[nH]c2ccc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C17H15FN2O.C2H6/c1-2-19-17(21)15-10-20-16-8-5-12(9-14(15)16)11-3-6-13(18)7-4-11;1-2/h3-10,20H,2H2,1H3,(H,19,21);1-2H3
InChIKeyZZLCVHNEYPKKCC-UHFFFAOYSA-N
XLogP4.75
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 82493978
5-(4-methylphenyl)-1H-indole-3-carboxylic acid
CID 82297777
5-chloro-N-propyl-1H-indole-3-carboxamide
CID 113205770
2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)-3-hydroxypropan-1-one
CID 162765535
N-butyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208017
methyl 5-fluoro-1H-indole-3-carboxylate
CID 34176452
N-[(3,5-difluorophenyl)methyl]-5-[2-(methylamino)-1,3-benzothiazol-6-yl]-1H-indole-3-carboxamide
CID 170009249
methyl 3-(ethylcarbamoyl)-1H-indole-6-carboxylate
CID 91491470
5-(4-chlorophenyl)-1H-indole-3-carboxylic acid
CID 82306175
2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 931809
5-fluoro-1H-indole-3-carbonyl iodide
CID 166942307
N-[3-[5-(4-chlorophenyl)-1H-indole-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide
CID 75412276

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-5-(4-fluorophenyl)-1H-indole-3-carboxamide?
The IUPAC name of ethane;N-ethyl-5-(4-fluorophenyl)-1H-indole-3-carboxamide (CID 142425851) is ethane;N-ethyl-5-(4-fluorophenyl)-1H-indole-3-carboxamide.
What is the SMILES notation for ethane;N-ethyl-5-(4-fluorophenyl)-1H-indole-3-carboxamide?
The canonical SMILES for ethane;N-ethyl-5-(4-fluorophenyl)-1H-indole-3-carboxamide is CC.CCNC(=O)c1c[nH]c2ccc(-c3ccc(F)cc3)cc12.
What is the InChIKey of ethane;N-ethyl-5-(4-fluorophenyl)-1H-indole-3-carboxamide?
The InChIKey is ZZLCVHNEYPKKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O.C2H6/c1-2-19-17(21)15-10-20-16-8-5-12(9-14(15)16)11-3-6-13(18)7-4-11;1-2/h3-10,20H,2H2,1H3,(H,19,21);1-2H3.
What are the key properties of ethane;N-ethyl-5-(4-fluorophenyl)-1H-indole-3-carboxamide?
ethane;N-ethyl-5-(4-fluorophenyl)-1H-indole-3-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-5-(4-fluorophenyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 142425851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).