N-(3-chloro-4-fluorophenyl)-5-ethoxy-1-ethyl-3-methylindole-2-carboxamide

C20H20ClFN2O2 — CID 110502258

IUPACN-(3-chloro-4-fluorophenyl)-5-ethoxy-1-ethyl-3-methylindole-2-carboxamide
SMILESCCOc1ccc2c(c1)c(C)c(C(=O)Nc1ccc(F)c(Cl)c1)n2CC
InChIInChI=1S/C20H20ClFN2O2/c1-4-24-18-9-7-14(26-5-2)11-15(18)12(3)19(24)20(25)23-13-6-8-17(22)16(21)10-13/h6-11H,4-5H2,1-3H3,(H,23,25)
InChIKeyRPIGGATYYGLVPX-UHFFFAOYSA-N
MW374.84 g/mol
LogP5.41
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-5-ethoxy-1-ethyl-3-methylindole-2-carboxamide

N-(3-chloro-4-fluorophenyl)-5-ethoxy-1-ethyl-3-methylindole-2-carboxamide (PubChem CID 110502258) has the molecular formula C20H20ClFN2O2 and a molecular weight of 374.84 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-ethoxy-1-ethyl-3-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-ethoxy-1-ethyl-3-methylindole-2-carboxamide
PubChem CID110502258
Molecular FormulaC20H20ClFN2O2
Molecular Weight374.84 g/mol
Exact Mass374.12
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-ethoxy-1-ethyl-3-methylindole-2-carboxamide
SMILESCCOc1ccc2c(c1)c(C)c(C(=O)Nc1ccc(F)c(Cl)c1)n2CC
InChIInChI=1S/C20H20ClFN2O2/c1-4-24-18-9-7-14(26-5-2)11-15(18)12(3)19(24)20(25)23-13-6-8-17(22)16(21)10-13/h6-11H,4-5H2,1-3H3,(H,23,25)
InChIKeyRPIGGATYYGLVPX-UHFFFAOYSA-N
XLogP5.41
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.84
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dichlorophenyl)-5-ethoxy-1-ethyl-3-methylindole-2-carboxamide
CID 110502266
5-ethoxy-1-ethyl-N-(4-ethylphenyl)-3-methylindole-2-carboxamide
CID 110502331
5-chloro-N-(3-chloro-4-methylphenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110502138
5-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethyl-3-methylindole-2-carboxamide
CID 110502078
5-chloro-N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110502070
5-ethoxy-1-ethyl-N-[(2-fluorophenyl)methyl]-3-methylindole-2-carboxamide
CID 110497845
5-ethoxy-1-ethyl-3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)indole-2-carboxamide
CID 110503961
5-ethoxy-1-ethyl-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)indole-2-carboxamide
CID 110504039
dimethyl 5-[(5-ethoxy-1-ethyl-3-methylindole-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 110503972
5-ethoxy-1-ethyl-3-methyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]indole-2-carboxamide
CID 110503977
5-ethoxy-1-ethyl-3-methyl-N-(2-phenoxyphenyl)indole-2-carboxamide
CID 110502299
5-ethoxy-1-ethyl-3-methyl-N-(3-propan-2-yloxypropyl)indole-2-carboxamide
CID 110497818

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-ethoxy-1-ethyl-3-methylindole-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-ethoxy-1-ethyl-3-methylindole-2-carboxamide (CID 110502258) is N-(3-chloro-4-fluorophenyl)-5-ethoxy-1-ethyl-3-methylindole-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-ethoxy-1-ethyl-3-methylindole-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-ethoxy-1-ethyl-3-methylindole-2-carboxamide is CCOc1ccc2c(c1)c(C)c(C(=O)Nc1ccc(F)c(Cl)c1)n2CC.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-ethoxy-1-ethyl-3-methylindole-2-carboxamide?
The InChIKey is RPIGGATYYGLVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O2/c1-4-24-18-9-7-14(26-5-2)11-15(18)12(3)19(24)20(25)23-13-6-8-17(22)16(21)10-13/h6-11H,4-5H2,1-3H3,(H,23,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-ethoxy-1-ethyl-3-methylindole-2-carboxamide?
N-(3-chloro-4-fluorophenyl)-5-ethoxy-1-ethyl-3-methylindole-2-carboxamide has a molecular weight of 374.84 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-ethoxy-1-ethyl-3-methylindole-2-carboxamide is sourced from PubChem (CID 110502258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).