2-(5-chloro-1H-indol-3-yl)-N-(3-fluorophenyl)-2-methylpropanamide

C18H16ClFN2O — CID 113210111

IUPAC2-(5-chloro-1H-indol-3-yl)-N-(3-fluorophenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1cccc(F)c1)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C18H16ClFN2O/c1-18(2,17(23)22-13-5-3-4-12(20)9-13)15-10-21-16-7-6-11(19)8-14(15)16/h3-10,21H,1-2H3,(H,22,23)
InChIKeyJTFSIEKMKLACPY-UHFFFAOYSA-N
MW330.79 g/mol
LogP4.88
Rot. Bonds3

About 2-(5-chloro-1H-indol-3-yl)-N-(3-fluorophenyl)-2-methylpropanamide

2-(5-chloro-1H-indol-3-yl)-N-(3-fluorophenyl)-2-methylpropanamide (PubChem CID 113210111) has the molecular formula C18H16ClFN2O and a molecular weight of 330.79 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-3-yl)-N-(3-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-3-yl)-N-(3-fluorophenyl)-2-methylpropanamide
PubChem CID113210111
Molecular FormulaC18H16ClFN2O
Molecular Weight330.79 g/mol
Exact Mass330.09
IUPAC Name2-(5-chloro-1H-indol-3-yl)-N-(3-fluorophenyl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1cccc(F)c1)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C18H16ClFN2O/c1-18(2,17(23)22-13-5-3-4-12(20)9-13)15-10-21-16-7-6-11(19)8-14(15)16/h3-10,21H,1-2H3,(H,22,23)
InChIKeyJTFSIEKMKLACPY-UHFFFAOYSA-N
XLogP4.88
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-acetamidophenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113209987
N-(4-acetylphenyl)-2-(5-chloro-1H-indol-3-yl)-2-methylpropanamide
CID 113210103
2-(5-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-methylpropanamide
CID 113210095
N-(3,4-difluorophenyl)-2-(1H-indol-3-yl)-2-methylpropanamide
CID 113209071
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-phenylpropanamide
CID 113210367
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113210404
2-(1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113209036
2-(5-chloro-1H-indol-3-yl)-2-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 113210043
N-(2-ethylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113209959
methyl 2-[[2-(5-fluoro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
CID 113209989
2-(6-fluoro-1H-indol-3-yl)-N-(2-fluorophenyl)-2-methylpropanamide
CID 113210383
methyl 4-[[2-(6-chloro-1H-indol-3-yl)-2-methylpropanoyl]amino]benzoate
CID 113210529

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-(3-fluorophenyl)-2-methylpropanamide?
The IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-(3-fluorophenyl)-2-methylpropanamide (CID 113210111) is 2-(5-chloro-1H-indol-3-yl)-N-(3-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for 2-(5-chloro-1H-indol-3-yl)-N-(3-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for 2-(5-chloro-1H-indol-3-yl)-N-(3-fluorophenyl)-2-methylpropanamide is CC(C)(C(=O)Nc1cccc(F)c1)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 2-(5-chloro-1H-indol-3-yl)-N-(3-fluorophenyl)-2-methylpropanamide?
The InChIKey is JTFSIEKMKLACPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O/c1-18(2,17(23)22-13-5-3-4-12(20)9-13)15-10-21-16-7-6-11(19)8-14(15)16/h3-10,21H,1-2H3,(H,22,23).
What are the key properties of 2-(5-chloro-1H-indol-3-yl)-N-(3-fluorophenyl)-2-methylpropanamide?
2-(5-chloro-1H-indol-3-yl)-N-(3-fluorophenyl)-2-methylpropanamide has a molecular weight of 330.79 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indol-3-yl)-N-(3-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 113210111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).