4-fluoro-N-methyl-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide

C20H19FN2O2 — CID 158714807

IUPAC4-fluoro-N-methyl-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide
SMILESCCC(=O)c1ccc(Cn2cc(C(=O)NC)c3c(F)cccc32)cc1
InChIInChI=1S/C20H19FN2O2/c1-3-18(24)14-9-7-13(8-10-14)11-23-12-15(20(25)22-2)19-16(21)5-4-6-17(19)23/h4-10,12H,3,11H2,1-2H3,(H,22,25)
InChIKeyIJEHWVZRQCEWEJ-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.78
Rot. Bonds5

About 4-fluoro-N-methyl-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide

4-fluoro-N-methyl-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide (PubChem CID 158714807) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 4-fluoro-N-methyl-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide
PubChem CID158714807
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name4-fluoro-N-methyl-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide
SMILESCCC(=O)c1ccc(Cn2cc(C(=O)NC)c3c(F)cccc32)cc1
InChIInChI=1S/C20H19FN2O2/c1-3-18(24)14-9-7-13(8-10-14)11-23-12-15(20(25)22-2)19-16(21)5-4-6-17(19)23/h4-10,12H,3,11H2,1-2H3,(H,22,25)
InChIKeyIJEHWVZRQCEWEJ-UHFFFAOYSA-N
XLogP3.78
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-4-fluoro-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide
CID 159266559
N-cycloheptyl-4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]indole-3-carboxamide
CID 121482780
1-[(4-carbamoylphenyl)methyl]-4-fluoro-N-(oxan-4-yl)indole-3-carboxamide
CID 123766771
1-benzyl-N-cyclohexyl-4-fluoroindole-3-carboxamide
CID 123211573
1-benzyl-5-fluoro-4-oxoquinoline-3-carboxylic acid
CID 46225414
1-[1-[(4-fluorophenyl)methyl]indol-3-yl]propan-1-one
CID 955251
4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]-N-(oxan-4-yl)indole-3-carboxamide;1H-indole-3-carboxamide
CID 158014533
ethyl 1-[(4-bromophenyl)methyl]-5-fluoro-4-oxoquinoline-3-carboxylate
CID 135072615
N-cyclohexyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 123838231
4-fluoro-1-[(4-fluorophenyl)methyl]-N-(3-fluoropiperidin-4-yl)indole-3-carboxamide;hydrochloride
CID 126674071
4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 140797941
4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 121482836

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide?
The IUPAC name of 4-fluoro-N-methyl-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide (CID 158714807) is 4-fluoro-N-methyl-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide.
What is the SMILES notation for 4-fluoro-N-methyl-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide?
The canonical SMILES for 4-fluoro-N-methyl-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide is CCC(=O)c1ccc(Cn2cc(C(=O)NC)c3c(F)cccc32)cc1.
What is the InChIKey of 4-fluoro-N-methyl-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide?
The InChIKey is IJEHWVZRQCEWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-3-18(24)14-9-7-13(8-10-14)11-23-12-15(20(25)22-2)19-16(21)5-4-6-17(19)23/h4-10,12H,3,11H2,1-2H3,(H,22,25).
What are the key properties of 4-fluoro-N-methyl-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide?
4-fluoro-N-methyl-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide has a molecular weight of 338.38 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide is sourced from PubChem (CID 158714807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).