N-cyclopropyl-3-(7-ethyl-1H-indol-3-yl)-3-(4-fluorophenyl)propanamide

C22H23FN2O — CID 3428544

IUPACN-cyclopropyl-3-(7-ethyl-1H-indol-3-yl)-3-(4-fluorophenyl)propanamide
SMILESCCc1cccc2c(C(CC(=O)NC3CC3)c3ccc(F)cc3)c[nH]c12
InChIInChI=1S/C22H23FN2O/c1-2-14-4-3-5-18-20(13-24-22(14)18)19(12-21(26)25-17-10-11-17)15-6-8-16(23)9-7-15/h3-9,13,17,19,24H,2,10-12H2,1H3,(H,25,26)
InChIKeyZLJMLIZTMNPLFZ-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.67
Rot. Bonds6

About N-cyclopropyl-3-(7-ethyl-1H-indol-3-yl)-3-(4-fluorophenyl)propanamide

N-cyclopropyl-3-(7-ethyl-1H-indol-3-yl)-3-(4-fluorophenyl)propanamide (PubChem CID 3428544) has the molecular formula C22H23FN2O and a molecular weight of 350.44 g/mol. Its IUPAC name is N-cyclopropyl-3-(7-ethyl-1H-indol-3-yl)-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(7-ethyl-1H-indol-3-yl)-3-(4-fluorophenyl)propanamide
PubChem CID3428544
Molecular FormulaC22H23FN2O
Molecular Weight350.44 g/mol
Exact Mass350.18
IUPAC NameN-cyclopropyl-3-(7-ethyl-1H-indol-3-yl)-3-(4-fluorophenyl)propanamide
SMILESCCc1cccc2c(C(CC(=O)NC3CC3)c3ccc(F)cc3)c[nH]c12
InChIInChI=1S/C22H23FN2O/c1-2-14-4-3-5-18-20(13-24-22(14)18)19(12-21(26)25-17-10-11-17)15-6-8-16(23)9-7-15/h3-9,13,17,19,24H,2,10-12H2,1H3,(H,25,26)
InChIKeyZLJMLIZTMNPLFZ-UHFFFAOYSA-N
XLogP4.67
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide
CID 4102874
N-benzhydryl-3-(7-ethyl-1H-indol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 42802298
N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanamide
CID 42802349
3-(2,4-difluorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 42804500
3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide
CID 42802283
3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 42808770
3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 42666875
3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)-N-(4-phenylbutan-2-yl)propanamide
CID 42802343
3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 42666860
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanamide
CID 93122362
3-(7-ethyl-1H-indol-3-yl)-N-(2-fluorophenyl)-3-thiophen-3-ylpropanamide
CID 42774496
3-(7-ethyl-1H-indol-3-yl)-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(3-fluorophenyl)propan-1-one
CID 42802339

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(7-ethyl-1H-indol-3-yl)-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-cyclopropyl-3-(7-ethyl-1H-indol-3-yl)-3-(4-fluorophenyl)propanamide (CID 3428544) is N-cyclopropyl-3-(7-ethyl-1H-indol-3-yl)-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(7-ethyl-1H-indol-3-yl)-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-cyclopropyl-3-(7-ethyl-1H-indol-3-yl)-3-(4-fluorophenyl)propanamide is CCc1cccc2c(C(CC(=O)NC3CC3)c3ccc(F)cc3)c[nH]c12.
What is the InChIKey of N-cyclopropyl-3-(7-ethyl-1H-indol-3-yl)-3-(4-fluorophenyl)propanamide?
The InChIKey is ZLJMLIZTMNPLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O/c1-2-14-4-3-5-18-20(13-24-22(14)18)19(12-21(26)25-17-10-11-17)15-6-8-16(23)9-7-15/h3-9,13,17,19,24H,2,10-12H2,1H3,(H,25,26).
What are the key properties of N-cyclopropyl-3-(7-ethyl-1H-indol-3-yl)-3-(4-fluorophenyl)propanamide?
N-cyclopropyl-3-(7-ethyl-1H-indol-3-yl)-3-(4-fluorophenyl)propanamide has a molecular weight of 350.44 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(7-ethyl-1H-indol-3-yl)-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 3428544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).