N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide

C17H14F2N2O — CID 27906978

IUPACN-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1cc(F)cc(F)c1
InChIInChI=1S/C17H14F2N2O/c18-12-7-13(19)9-14(8-12)21-17(22)6-5-11-10-20-16-4-2-1-3-15(11)16/h1-4,7-10,20H,5-6H2,(H,21,22)
InChIKeyUHQLWOACNLCEIO-UHFFFAOYSA-N
MW300.31 g/mol
LogP4.02
Rot. Bonds4

About N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide

N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 27906978) has the molecular formula C17H14F2N2O and a molecular weight of 300.31 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide
PubChem CID27906978
Molecular FormulaC17H14F2N2O
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1cc(F)cc(F)c1
InChIInChI=1S/C17H14F2N2O/c18-12-7-13(19)9-14(8-12)21-17(22)6-5-11-10-20-16-4-2-1-3-15(11)16/h1-4,7-10,20H,5-6H2,(H,21,22)
InChIKeyUHQLWOACNLCEIO-UHFFFAOYSA-N
XLogP4.02
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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3-(1H-indol-3-yl)-N-(3-sulfamoylphenyl)propanamide
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N-(3-cyanophenyl)-3-(1H-indol-3-yl)propanamide
CID 2522746
3-(1H-indol-3-yl)-N-(2-iodophenyl)propanamide
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3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)propanamide
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N-(4-ethylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide
CID 42021517
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CID 10664257

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide (CID 27906978) is N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)Nc1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is UHQLWOACNLCEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O/c18-12-7-13(19)9-14(8-12)21-17(22)6-5-11-10-20-16-4-2-1-3-15(11)16/h1-4,7-10,20H,5-6H2,(H,21,22).
What are the key properties of N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide?
N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 300.31 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 27906978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).