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

C19H17Cl3N2O — CID 118728586

IUPAC5-chloro-N-[2-(3,4-dichlorophenyl)ethyl]-3-ethyl-1H-indole-2-carboxamide
SMILESCCc1c(C(=O)NCCc2ccc(Cl)c(Cl)c2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H17Cl3N2O/c1-2-13-14-10-12(20)4-6-17(14)24-18(13)19(25)23-8-7-11-3-5-15(21)16(22)9-11/h3-6,9-10,24H,2,7-8H2,1H3,(H,23,25)
InChIKeyFCVSHSNEIJRSAD-UHFFFAOYSA-N
MW395.72 g/mol
LogP5.66
Rot. Bonds5

About 5-chloro-N-[2-(3,4-dichlorophenyl)ethyl]-3-ethyl-1H-indole-2-carboxamide

5-chloro-N-[2-(3,4-dichlorophenyl)ethyl]-3-ethyl-1H-indole-2-carboxamide (PubChem CID 118728586) has the molecular formula C19H17Cl3N2O and a molecular weight of 395.72 g/mol. Its IUPAC name is 5-chloro-N-[2-(3,4-dichlorophenyl)ethyl]-3-ethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(3,4-dichlorophenyl)ethyl]-3-ethyl-1H-indole-2-carboxamide
PubChem CID118728586
Molecular FormulaC19H17Cl3N2O
Molecular Weight395.72 g/mol
Exact Mass394.04
IUPAC Name5-chloro-N-[2-(3,4-dichlorophenyl)ethyl]-3-ethyl-1H-indole-2-carboxamide
SMILESCCc1c(C(=O)NCCc2ccc(Cl)c(Cl)c2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H17Cl3N2O/c1-2-13-14-10-12(20)4-6-17(14)24-18(13)19(25)23-8-7-11-3-5-15(21)16(22)9-11/h3-6,9-10,24H,2,7-8H2,1H3,(H,23,25)
InChIKeyFCVSHSNEIJRSAD-UHFFFAOYSA-N
XLogP5.66
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.72
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-ethyl-N-[2-(3-hydroxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 118728584
5-chloro-3-ethyl-N-[2-[4-(hexanoylamino)phenyl]ethyl]-1H-indole-2-carboxamide
CID 118727855
5-chloro-3-[[ethyl(methyl)amino]methyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide
CID 169175710
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 113211952
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 113085985
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-chloro-3-ethyl-1H-indole-2-carboxamide
CID 91827723
6-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1H-indole-2-carboxamide
CID 113205294
N-[2-(3,4-dichlorophenyl)ethyl]-2-oxopropanamide
CID 110478308
3,5-dichloro-N-(2-hydroxypropyl)-1H-indole-2-carboxamide
CID 110900787
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(ethylamino)pyrimidine-5-carboxamide
CID 72842739
3,5-dichloro-N-[2-(methanesulfonamido)ethyl]-1H-indole-2-carboxamide
CID 166187794
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113086017

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(3,4-dichlorophenyl)ethyl]-3-ethyl-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(3,4-dichlorophenyl)ethyl]-3-ethyl-1H-indole-2-carboxamide (CID 118728586) is 5-chloro-N-[2-(3,4-dichlorophenyl)ethyl]-3-ethyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(3,4-dichlorophenyl)ethyl]-3-ethyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(3,4-dichlorophenyl)ethyl]-3-ethyl-1H-indole-2-carboxamide is CCc1c(C(=O)NCCc2ccc(Cl)c(Cl)c2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-N-[2-(3,4-dichlorophenyl)ethyl]-3-ethyl-1H-indole-2-carboxamide?
The InChIKey is FCVSHSNEIJRSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl3N2O/c1-2-13-14-10-12(20)4-6-17(14)24-18(13)19(25)23-8-7-11-3-5-15(21)16(22)9-11/h3-6,9-10,24H,2,7-8H2,1H3,(H,23,25).
What are the key properties of 5-chloro-N-[2-(3,4-dichlorophenyl)ethyl]-3-ethyl-1H-indole-2-carboxamide?
5-chloro-N-[2-(3,4-dichlorophenyl)ethyl]-3-ethyl-1H-indole-2-carboxamide has a molecular weight of 395.72 g/mol, XLogP of 5.66, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(3,4-dichlorophenyl)ethyl]-3-ethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 118728586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).