N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-4-fluoro-1-methylindole-3-carboxamide

C21H20ClFN2O2 — CID 58779013

IUPACN-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-4-fluoro-1-methylindole-3-carboxamide
SMILESCC(C)C(=O)Cc1ccc(NC(=O)c2cn(C)c3cccc(F)c23)c(Cl)c1
InChIInChI=1S/C21H20ClFN2O2/c1-12(2)19(26)10-13-7-8-17(15(22)9-13)24-21(27)14-11-25(3)18-6-4-5-16(23)20(14)18/h4-9,11-12H,10H2,1-3H3,(H,24,27)
InChIKeyFRSPJTKNYDDLSX-UHFFFAOYSA-N
MW386.85 g/mol
LogP4.99
Rot. Bonds5

About N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-4-fluoro-1-methylindole-3-carboxamide

N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-4-fluoro-1-methylindole-3-carboxamide (PubChem CID 58779013) has the molecular formula C21H20ClFN2O2 and a molecular weight of 386.85 g/mol. Its IUPAC name is N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-4-fluoro-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-4-fluoro-1-methylindole-3-carboxamide
PubChem CID58779013
Molecular FormulaC21H20ClFN2O2
Molecular Weight386.85 g/mol
Exact Mass386.12
IUPAC NameN-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-4-fluoro-1-methylindole-3-carboxamide
SMILESCC(C)C(=O)Cc1ccc(NC(=O)c2cn(C)c3cccc(F)c23)c(Cl)c1
InChIInChI=1S/C21H20ClFN2O2/c1-12(2)19(26)10-13-7-8-17(15(22)9-13)24-21(27)14-11-25(3)18-6-4-5-16(23)20(14)18/h4-9,11-12H,10H2,1-3H3,(H,24,27)
InChIKeyFRSPJTKNYDDLSX-UHFFFAOYSA-N
XLogP4.99
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.85
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methylphenyl)-2,3-difluorobenzamide
CID 62650999
N-(2,4-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285316
4-[(1-methylindole-3-carbonyl)amino]-3-(2-methylpropyl)benzoic acid
CID 167983993
2-(3,4-dichlorophenyl)-1-(1-methylindol-3-yl)ethanone
CID 63490619
N-(2,4-dichlorophenyl)-2-[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]benzamide
CID 5150334
methyl 4-[[(2S,4S)-1-[2-[3-chloro-4-[(1-methylindole-3-carbonyl)amino]phenyl]acetyl]-4-fluoropyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate
CID 58778777
N'-(2,4-dichloro-5-fluorobenzoyl)-1-methylindole-3-carbohydrazide
CID 26815716
1-(3-chloro-4-fluorophenyl)-3-ethylpentan-2-one
CID 103042772
[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8589753
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8589755
N-(2,4-dichlorophenyl)-2-propan-2-ylsulfanylbenzamide
CID 17224609
N-(5-chloro-2-methylphenyl)-1-methylindole-3-carboxamide
CID 40716876

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-4-fluoro-1-methylindole-3-carboxamide?
The IUPAC name of N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-4-fluoro-1-methylindole-3-carboxamide (CID 58779013) is N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-4-fluoro-1-methylindole-3-carboxamide.
What is the SMILES notation for N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-4-fluoro-1-methylindole-3-carboxamide?
The canonical SMILES for N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-4-fluoro-1-methylindole-3-carboxamide is CC(C)C(=O)Cc1ccc(NC(=O)c2cn(C)c3cccc(F)c23)c(Cl)c1.
What is the InChIKey of N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-4-fluoro-1-methylindole-3-carboxamide?
The InChIKey is FRSPJTKNYDDLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN2O2/c1-12(2)19(26)10-13-7-8-17(15(22)9-13)24-21(27)14-11-25(3)18-6-4-5-16(23)20(14)18/h4-9,11-12H,10H2,1-3H3,(H,24,27).
What are the key properties of N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-4-fluoro-1-methylindole-3-carboxamide?
N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-4-fluoro-1-methylindole-3-carboxamide has a molecular weight of 386.85 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-4-fluoro-1-methylindole-3-carboxamide is sourced from PubChem (CID 58779013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).