N-(3,4-difluorophenyl)-2-(1H-indol-3-yl)-2-methylpropanamide

C18H16F2N2O — CID 113209071

IUPACN-(3,4-difluorophenyl)-2-(1H-indol-3-yl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(F)c(F)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C18H16F2N2O/c1-18(2,13-10-21-16-6-4-3-5-12(13)16)17(23)22-11-7-8-14(19)15(20)9-11/h3-10,21H,1-2H3,(H,22,23)
InChIKeyLYLAADZMHVUJRH-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.36
Rot. Bonds3

About N-(3,4-difluorophenyl)-2-(1H-indol-3-yl)-2-methylpropanamide

N-(3,4-difluorophenyl)-2-(1H-indol-3-yl)-2-methylpropanamide (PubChem CID 113209071) has the molecular formula C18H16F2N2O and a molecular weight of 314.34 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(1H-indol-3-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(1H-indol-3-yl)-2-methylpropanamide
PubChem CID113209071
Molecular FormulaC18H16F2N2O
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC NameN-(3,4-difluorophenyl)-2-(1H-indol-3-yl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(F)c(F)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C18H16F2N2O/c1-18(2,13-10-21-16-6-4-3-5-12(13)16)17(23)22-11-7-8-14(19)15(20)9-11/h3-10,21H,1-2H3,(H,22,23)
InChIKeyLYLAADZMHVUJRH-UHFFFAOYSA-N
XLogP4.36
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113209036
2-(5-chloro-1H-indol-3-yl)-N-(3-fluorophenyl)-2-methylpropanamide
CID 113210111
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-phenylpropanamide
CID 113210367
N-tert-butyl-2-(1H-indol-3-yl)-2-methylpropanamide
CID 113208983
2-(1H-indol-3-yl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 113209051
N-(3-acetamidophenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113209987
N-(3,4-difluorophenyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110438888
2-(6-fluoro-1H-indol-3-yl)-N-(2-fluorophenyl)-2-methylpropanamide
CID 113210383
N-(4-acetylphenyl)-2-(5-chloro-1H-indol-3-yl)-2-methylpropanamide
CID 113210103
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113210405
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113210404
2-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-methylpropanamide
CID 113210095

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(1H-indol-3-yl)-2-methylpropanamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(1H-indol-3-yl)-2-methylpropanamide (CID 113209071) is N-(3,4-difluorophenyl)-2-(1H-indol-3-yl)-2-methylpropanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(1H-indol-3-yl)-2-methylpropanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(1H-indol-3-yl)-2-methylpropanamide is CC(C)(C(=O)Nc1ccc(F)c(F)c1)c1c[nH]c2ccccc12.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(1H-indol-3-yl)-2-methylpropanamide?
The InChIKey is LYLAADZMHVUJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O/c1-18(2,13-10-21-16-6-4-3-5-12(13)16)17(23)22-11-7-8-14(19)15(20)9-11/h3-10,21H,1-2H3,(H,22,23).
What are the key properties of N-(3,4-difluorophenyl)-2-(1H-indol-3-yl)-2-methylpropanamide?
N-(3,4-difluorophenyl)-2-(1H-indol-3-yl)-2-methylpropanamide has a molecular weight of 314.34 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(1H-indol-3-yl)-2-methylpropanamide is sourced from PubChem (CID 113209071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).