N-[2-(2,4-dichlorophenyl)ethyl]-6-fluoro-1H-indole-3-carboxamide

C17H13Cl2FN2O — CID 113206229

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-6-fluoro-1H-indole-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C17H13Cl2FN2O/c18-11-2-1-10(15(19)7-11)5-6-21-17(23)14-9-22-16-8-12(20)3-4-13(14)16/h1-4,7-9,22H,5-6H2,(H,21,23)
InChIKeyXSWMFRPHYLQJOV-UHFFFAOYSA-N
MW351.21 g/mol
LogP4.59
Rot. Bonds4

About N-[2-(2,4-dichlorophenyl)ethyl]-6-fluoro-1H-indole-3-carboxamide

N-[2-(2,4-dichlorophenyl)ethyl]-6-fluoro-1H-indole-3-carboxamide (PubChem CID 113206229) has the molecular formula C17H13Cl2FN2O and a molecular weight of 351.21 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-6-fluoro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-6-fluoro-1H-indole-3-carboxamide
PubChem CID113206229
Molecular FormulaC17H13Cl2FN2O
Molecular Weight351.21 g/mol
Exact Mass350.04
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-6-fluoro-1H-indole-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C17H13Cl2FN2O/c18-11-2-1-10(15(19)7-11)5-6-21-17(23)14-9-22-16-8-12(20)3-4-13(14)16/h1-4,7-9,22H,5-6H2,(H,21,23)
InChIKeyXSWMFRPHYLQJOV-UHFFFAOYSA-N
XLogP4.59
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 113209285
2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide
CID 49408660
6-chloro-N-[(2-fluorophenyl)methyl]-1H-indole-3-carboxamide
CID 113206366
2-chloro-N-[2-(6-chloro-1H-indol-3-yl)ethyl]-6-fluorobenzamide
CID 113083839
2-(6-fluoro-1H-indol-3-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
CID 113208583
2,4-dichloro-N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]benzamide
CID 86964457
N-(4-chlorophenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206260
6-fluoro-1H-indole-3-carbohydrazide
CID 129321028
2-(2-chloro-6-fluorophenyl)-1-(6-fluoro-1H-indol-3-yl)ethanone
CID 43163477
4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-2-hydroxybenzamide
CID 28537404
N-[2-(2,4-dichlorophenyl)ethyl]-3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)propanamide
CID 42803940
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3,4-difluorobenzamide
CID 113083843

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-6-fluoro-1H-indole-3-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-6-fluoro-1H-indole-3-carboxamide (CID 113206229) is N-[2-(2,4-dichlorophenyl)ethyl]-6-fluoro-1H-indole-3-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-6-fluoro-1H-indole-3-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-6-fluoro-1H-indole-3-carboxamide is O=C(NCCc1ccc(Cl)cc1Cl)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-6-fluoro-1H-indole-3-carboxamide?
The InChIKey is XSWMFRPHYLQJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2FN2O/c18-11-2-1-10(15(19)7-11)5-6-21-17(23)14-9-22-16-8-12(20)3-4-13(14)16/h1-4,7-9,22H,5-6H2,(H,21,23).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-6-fluoro-1H-indole-3-carboxamide?
N-[2-(2,4-dichlorophenyl)ethyl]-6-fluoro-1H-indole-3-carboxamide has a molecular weight of 351.21 g/mol, XLogP of 4.59, 4 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]-6-fluoro-1H-indole-3-carboxamide is sourced from PubChem (CID 113206229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).