N-butan-2-yl-3-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide

C22H25FN2O — CID 42776899

IUPACN-butan-2-yl-3-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide
SMILESCCC(C)NC(=O)CC(c1ccc(F)cc1)c1cn(C)c2ccccc12
InChIInChI=1S/C22H25FN2O/c1-4-15(2)24-22(26)13-19(16-9-11-17(23)12-10-16)20-14-25(3)21-8-6-5-7-18(20)21/h5-12,14-15,19H,4,13H2,1-3H3,(H,24,26)
InChIKeyHXGKLGFOLGWPMD-UHFFFAOYSA-N
MW352.45 g/mol
LogP4.75
Rot. Bonds6

About N-butan-2-yl-3-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide

N-butan-2-yl-3-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide (PubChem CID 42776899) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is N-butan-2-yl-3-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide
PubChem CID42776899
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC NameN-butan-2-yl-3-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide
SMILESCCC(C)NC(=O)CC(c1ccc(F)cc1)c1cn(C)c2ccccc12
InChIInChI=1S/C22H25FN2O/c1-4-15(2)24-22(26)13-19(16-9-11-17(23)12-10-16)20-14-25(3)21-8-6-5-7-18(20)21/h5-12,14-15,19H,4,13H2,1-3H3,(H,24,26)
InChIKeyHXGKLGFOLGWPMD-UHFFFAOYSA-N
XLogP4.75
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)propanamide
CID 4266396
3-(4-chlorophenyl)-N-(3-methylbutan-2-yl)-3-(1-methylindol-3-yl)propanamide
CID 42802908
(3R)-N-[(2S)-butan-2-yl]-3-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide
CID 93012491
(3S)-3-(3,4-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 93122462
1-(4-benzylpiperazin-1-yl)-3-(4-fluorophenyl)-3-(1-methylindol-3-yl)propan-1-one
CID 4273313
N-(1,2-diphenylethyl)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanamide
CID 42801280
3-(4-fluorophenyl)-3-(1-methylindol-3-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 4535918
N-cyclopropyl-3-(1-methylindol-3-yl)-3-phenylpropanamide
CID 42774766
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-propylpropanamide
CID 42802923
N-(4-fluorophenyl)-3-(2-methoxyphenyl)-3-(1-methylindol-3-yl)propanamide
CID 42804465
3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide
CID 42774761
(3S)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide
CID 93012616

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide?
The IUPAC name of N-butan-2-yl-3-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide (CID 42776899) is N-butan-2-yl-3-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide?
The canonical SMILES for N-butan-2-yl-3-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide is CCC(C)NC(=O)CC(c1ccc(F)cc1)c1cn(C)c2ccccc12.
What is the InChIKey of N-butan-2-yl-3-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide?
The InChIKey is HXGKLGFOLGWPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c1-4-15(2)24-22(26)13-19(16-9-11-17(23)12-10-16)20-14-25(3)21-8-6-5-7-18(20)21/h5-12,14-15,19H,4,13H2,1-3H3,(H,24,26).
What are the key properties of N-butan-2-yl-3-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide?
N-butan-2-yl-3-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide has a molecular weight of 352.45 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(4-fluorophenyl)-3-(1-methylindol-3-yl)propanamide is sourced from PubChem (CID 42776899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).