3-(5-chloro-1H-indol-3-yl)-3-(2-fluoro-5-methylphenyl)-N-(pyridin-4-ylmethyl)propanamide

C24H21ClFN3O — CID 83287451

IUPAC3-(5-chloro-1H-indol-3-yl)-3-(2-fluoro-5-methylphenyl)-N-(pyridin-4-ylmethyl)propanamide
SMILESCc1ccc(F)c(C(CC(=O)NCc2ccncc2)c2c[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C24H21ClFN3O/c1-15-2-4-22(26)19(10-15)18(12-24(30)29-13-16-6-8-27-9-7-16)21-14-28-23-5-3-17(25)11-20(21)23/h2-11,14,18,28H,12-13H2,1H3,(H,29,30)
InChIKeySRSNRIARAWCUCT-UHFFFAOYSA-N
MW421.90 g/mol
LogP5.50
Rot. Bonds6

About 3-(5-chloro-1H-indol-3-yl)-3-(2-fluoro-5-methylphenyl)-N-(pyridin-4-ylmethyl)propanamide

3-(5-chloro-1H-indol-3-yl)-3-(2-fluoro-5-methylphenyl)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 83287451) has the molecular formula C24H21ClFN3O and a molecular weight of 421.90 g/mol. Its IUPAC name is 3-(5-chloro-1H-indol-3-yl)-3-(2-fluoro-5-methylphenyl)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(5-chloro-1H-indol-3-yl)-3-(2-fluoro-5-methylphenyl)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID83287451
Molecular FormulaC24H21ClFN3O
Molecular Weight421.90 g/mol
Exact Mass421.14
IUPAC Name3-(5-chloro-1H-indol-3-yl)-3-(2-fluoro-5-methylphenyl)-N-(pyridin-4-ylmethyl)propanamide
SMILESCc1ccc(F)c(C(CC(=O)NCc2ccncc2)c2c[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C24H21ClFN3O/c1-15-2-4-22(26)19(10-15)18(12-24(30)29-13-16-6-8-27-9-7-16)21-14-28-23-5-3-17(25)11-20(21)23/h2-11,14,18,28H,12-13H2,1H3,(H,29,30)
InChIKeySRSNRIARAWCUCT-UHFFFAOYSA-N
XLogP5.50
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.90
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 113208231
3-(2-fluoro-5-methylphenyl)-3-(5-nitro-1H-indol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 90488529
3-[3-(4-chlorophenoxy)phenyl]-3-(5-nitro-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)propanamide
CID 83290070
3-(5-methoxy-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 91635014
N-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide
CID 46131344
(3S)-3-(2-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 98773661
3-(1H-indol-3-yl)-3-(3-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 5226219
2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 113209503
3-(7-ethyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)-3-[2-(trifluoromethyl)phenyl]propanamide
CID 42803891
3-(5-chloro-1H-indol-3-yl)-3-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 83289144
7-chloro-4-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide
CID 39042088
N-[2-(2,4-dichlorophenyl)ethyl]-3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)propanamide
CID 42803940

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1H-indol-3-yl)-3-(2-fluoro-5-methylphenyl)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-(5-chloro-1H-indol-3-yl)-3-(2-fluoro-5-methylphenyl)-N-(pyridin-4-ylmethyl)propanamide (CID 83287451) is 3-(5-chloro-1H-indol-3-yl)-3-(2-fluoro-5-methylphenyl)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-(5-chloro-1H-indol-3-yl)-3-(2-fluoro-5-methylphenyl)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-(5-chloro-1H-indol-3-yl)-3-(2-fluoro-5-methylphenyl)-N-(pyridin-4-ylmethyl)propanamide is Cc1ccc(F)c(C(CC(=O)NCc2ccncc2)c2c[nH]c3ccc(Cl)cc23)c1.
What is the InChIKey of 3-(5-chloro-1H-indol-3-yl)-3-(2-fluoro-5-methylphenyl)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is SRSNRIARAWCUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN3O/c1-15-2-4-22(26)19(10-15)18(12-24(30)29-13-16-6-8-27-9-7-16)21-14-28-23-5-3-17(25)11-20(21)23/h2-11,14,18,28H,12-13H2,1H3,(H,29,30).
What are the key properties of 3-(5-chloro-1H-indol-3-yl)-3-(2-fluoro-5-methylphenyl)-N-(pyridin-4-ylmethyl)propanamide?
3-(5-chloro-1H-indol-3-yl)-3-(2-fluoro-5-methylphenyl)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 421.90 g/mol, XLogP of 5.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1H-indol-3-yl)-3-(2-fluoro-5-methylphenyl)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 83287451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).