N-[2-(2,4-dichlorophenyl)ethyl]-3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)propanamide

C25H20Cl2F2N2O — CID 42803940

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)propanamide
SMILESO=C(CC(c1ccc(F)cc1F)c1c[nH]c2ccccc12)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H20Cl2F2N2O/c26-16-6-5-15(22(27)11-16)9-10-30-25(32)13-20(18-8-7-17(28)12-23(18)29)21-14-31-24-4-2-1-3-19(21)24/h1-8,11-12,14,20,31H,9-10,13H2,(H,30,32)
InChIKeyKRYQCIJUHNNTFR-UHFFFAOYSA-N
MW473.35 g/mol
LogP6.63
Rot. Bonds7

About N-[2-(2,4-dichlorophenyl)ethyl]-3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)propanamide

N-[2-(2,4-dichlorophenyl)ethyl]-3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 42803940) has the molecular formula C25H20Cl2F2N2O and a molecular weight of 473.35 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)propanamide
PubChem CID42803940
Molecular FormulaC25H20Cl2F2N2O
Molecular Weight473.35 g/mol
Exact Mass472.09
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)propanamide
SMILESO=C(CC(c1ccc(F)cc1F)c1c[nH]c2ccccc12)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H20Cl2F2N2O/c26-16-6-5-15(22(27)11-16)9-10-30-25(32)13-20(18-8-7-17(28)12-23(18)29)21-14-31-24-4-2-1-3-19(21)24/h1-8,11-12,14,20,31H,9-10,13H2,(H,30,32)
InChIKeyKRYQCIJUHNNTFR-UHFFFAOYSA-N
XLogP6.63
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.35
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide
CID 42803946
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 113209285
1-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108989626
3-(4-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide
CID 42802173
(3R)-3-(4-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide
CID 93122197
N-[2-(2,4-dichlorophenyl)ethyl]-6-fluoro-1H-indole-3-carboxamide
CID 113206229
3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 42774472
3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 42808761
3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide
CID 42803966
2-(2,4-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002509
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 2713418
3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 42778001

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)propanamide (CID 42803940) is N-[2-(2,4-dichlorophenyl)ethyl]-3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)propanamide is O=C(CC(c1ccc(F)cc1F)c1c[nH]c2ccccc12)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is KRYQCIJUHNNTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2F2N2O/c26-16-6-5-15(22(27)11-16)9-10-30-25(32)13-20(18-8-7-17(28)12-23(18)29)21-14-31-24-4-2-1-3-19(21)24/h1-8,11-12,14,20,31H,9-10,13H2,(H,30,32).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)propanamide?
N-[2-(2,4-dichlorophenyl)ethyl]-3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 473.35 g/mol, XLogP of 6.63, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 42803940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).