5-bromo-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide

C23H13BrCl2FN3O2 — CID 59451507

IUPAC5-bromo-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide
SMILESN#Cc1cc(Cl)cc(Oc2c(Cl)ccc(CNC(=O)c3cc4cc(Br)ccc4[nH]3)c2F)c1
InChIInChI=1S/C23H13BrCl2FN3O2/c24-15-2-4-19-14(7-15)8-20(30-19)23(31)29-11-13-1-3-18(26)22(21(13)27)32-17-6-12(10-28)5-16(25)9-17/h1-9,30H,11H2,(H,29,31)
InChIKeyRKSPVTOQPSVRTE-UHFFFAOYSA-N
MW533.18 g/mol
LogP6.97
Rot. Bonds5

About 5-bromo-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide

5-bromo-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide (PubChem CID 59451507) has the molecular formula C23H13BrCl2FN3O2 and a molecular weight of 533.18 g/mol. Its IUPAC name is 5-bromo-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide
PubChem CID59451507
Molecular FormulaC23H13BrCl2FN3O2
Molecular Weight533.18 g/mol
Exact Mass530.96
IUPAC Name5-bromo-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide
SMILESN#Cc1cc(Cl)cc(Oc2c(Cl)ccc(CNC(=O)c3cc4cc(Br)ccc4[nH]3)c2F)c1
InChIInChI=1S/C23H13BrCl2FN3O2/c24-15-2-4-19-14(7-15)8-20(30-19)23(31)29-11-13-1-3-18(26)22(21(13)27)32-17-6-12(10-28)5-16(25)9-17/h1-9,30H,11H2,(H,29,31)
InChIKeyRKSPVTOQPSVRTE-UHFFFAOYSA-N
XLogP6.97
TPSA77.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.18
LogP ≤ 56.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-acetamido-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide
CID 59451512
N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-6-nitro-1H-indole-2-carboxamide
CID 59451617
N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indole-2-carboxamide
CID 59451559
2-acetyl-5-bromo-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-imidazole-4-carboxamide
CID 68794729
N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-imidazole-5-carboxamide
CID 59451608
N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-benzimidazole-2-carboxamide
CID 59451461
N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-6-[3-[(2-methylpropan-2-yl)oxy]propanoylamino]-1H-indole-2-carboxamide
CID 59451573
N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1,4-dihydropyrrolo[2,3-d]imidazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 86644904
acetic acid;N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-2-methyl-1H-imidazole-5-carboxamide
CID 162337427
5-chloro-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-2-ethyl-1H-imidazole-4-carboxamide
CID 59451438
2-acetamido-5-chloro-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-imidazole-4-carboxamide
CID 68721880
3-acetamido-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-5-methoxy-1H-indole-2-carboxamide
CID 59451465

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-bromo-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide (CID 59451507) is 5-bromo-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-bromo-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide is N#Cc1cc(Cl)cc(Oc2c(Cl)ccc(CNC(=O)c3cc4cc(Br)ccc4[nH]3)c2F)c1.
What is the InChIKey of 5-bromo-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide?
The InChIKey is RKSPVTOQPSVRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13BrCl2FN3O2/c24-15-2-4-19-14(7-15)8-20(30-19)23(31)29-11-13-1-3-18(26)22(21(13)27)32-17-6-12(10-28)5-16(25)9-17/h1-9,30H,11H2,(H,29,31).
What are the key properties of 5-bromo-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide?
5-bromo-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide has a molecular weight of 533.18 g/mol, XLogP of 6.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 59451507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).