4-(3-bromopropoxy)-N-(2-chlorophenyl)-1H-indole-2-carboxamide

C18H16BrClN2O2 — CID 46934621

IUPAC4-(3-bromopropoxy)-N-(2-chlorophenyl)-1H-indole-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cc2c(OCCCBr)cccc2[nH]1
InChIInChI=1S/C18H16BrClN2O2/c19-9-4-10-24-17-8-3-7-14-12(17)11-16(21-14)18(23)22-15-6-2-1-5-13(15)20/h1-3,5-8,11,21H,4,9-10H2,(H,22,23)
InChIKeyUEEYMVKMRDEEIF-UHFFFAOYSA-N
MW407.70 g/mol
LogP5.24
Rot. Bonds6

About 4-(3-bromopropoxy)-N-(2-chlorophenyl)-1H-indole-2-carboxamide

4-(3-bromopropoxy)-N-(2-chlorophenyl)-1H-indole-2-carboxamide (PubChem CID 46934621) has the molecular formula C18H16BrClN2O2 and a molecular weight of 407.70 g/mol. Its IUPAC name is 4-(3-bromopropoxy)-N-(2-chlorophenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-(3-bromopropoxy)-N-(2-chlorophenyl)-1H-indole-2-carboxamide
PubChem CID46934621
Molecular FormulaC18H16BrClN2O2
Molecular Weight407.70 g/mol
Exact Mass406.01
IUPAC Name4-(3-bromopropoxy)-N-(2-chlorophenyl)-1H-indole-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cc2c(OCCCBr)cccc2[nH]1
InChIInChI=1S/C18H16BrClN2O2/c19-9-4-10-24-17-8-3-7-14-12(17)11-16(21-14)18(23)22-15-6-2-1-5-13(15)20/h1-3,5-8,11,21H,4,9-10H2,(H,22,23)
InChIKeyUEEYMVKMRDEEIF-UHFFFAOYSA-N
XLogP5.24
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.70
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 2742882
N-(2-propoxyphenyl)-1H-indole-2-carboxamide
CID 51145976
N-[2-(2-phenylethoxy)phenyl]-1H-indole-2-carboxamide
CID 55675130
N-phenyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1H-indole-2-carboxamide
CID 46934765
methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate
CID 135358278
6-chloro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide
CID 167974582
6-bromo-N-(2-propoxyphenyl)-1H-indole-2-carboxamide
CID 55566139
methyl 4-(3-propan-2-ylsulfonylpropoxy)-1H-indole-2-carboxylate
CID 138014570
1-(2-chlorophenyl)-3-(4H-furo[3,2-b]pyrrole-5-carbonylamino)urea
CID 46260719
N-(2-chlorophenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 110600652
hexyl 3-[(2-chlorophenyl)carbamoyl]benzoate
CID 91737156
4-chloro-N-prop-2-enyl-1H-indole-2-carboxamide
CID 110848091

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromopropoxy)-N-(2-chlorophenyl)-1H-indole-2-carboxamide?
The IUPAC name of 4-(3-bromopropoxy)-N-(2-chlorophenyl)-1H-indole-2-carboxamide (CID 46934621) is 4-(3-bromopropoxy)-N-(2-chlorophenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 4-(3-bromopropoxy)-N-(2-chlorophenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 4-(3-bromopropoxy)-N-(2-chlorophenyl)-1H-indole-2-carboxamide is O=C(Nc1ccccc1Cl)c1cc2c(OCCCBr)cccc2[nH]1.
What is the InChIKey of 4-(3-bromopropoxy)-N-(2-chlorophenyl)-1H-indole-2-carboxamide?
The InChIKey is UEEYMVKMRDEEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrClN2O2/c19-9-4-10-24-17-8-3-7-14-12(17)11-16(21-14)18(23)22-15-6-2-1-5-13(15)20/h1-3,5-8,11,21H,4,9-10H2,(H,22,23).
What are the key properties of 4-(3-bromopropoxy)-N-(2-chlorophenyl)-1H-indole-2-carboxamide?
4-(3-bromopropoxy)-N-(2-chlorophenyl)-1H-indole-2-carboxamide has a molecular weight of 407.70 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromopropoxy)-N-(2-chlorophenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 46934621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).