4-bromo-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide

C19H25BrN2O — CID 58011456

IUPAC4-bromo-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide
SMILESCCn1cc(C(=O)NCC2CCCCCC2)c2c(Br)cccc21
InChIInChI=1S/C19H25BrN2O/c1-2-22-13-15(18-16(20)10-7-11-17(18)22)19(23)21-12-14-8-5-3-4-6-9-14/h7,10-11,13-14H,2-6,8-9,12H2,1H3,(H,21,23)
InChIKeyBHQVNWYBKYWFJN-UHFFFAOYSA-N
MW377.33 g/mol
LogP5.12
Rot. Bonds4

About 4-bromo-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide

4-bromo-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide (PubChem CID 58011456) has the molecular formula C19H25BrN2O and a molecular weight of 377.33 g/mol. Its IUPAC name is 4-bromo-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide
PubChem CID58011456
Molecular FormulaC19H25BrN2O
Molecular Weight377.33 g/mol
Exact Mass376.12
IUPAC Name4-bromo-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide
SMILESCCn1cc(C(=O)NCC2CCCCCC2)c2c(Br)cccc21
InChIInChI=1S/C19H25BrN2O/c1-2-22-13-15(18-16(20)10-7-11-17(18)22)19(23)21-12-14-8-5-3-4-6-9-14/h7,10-11,13-14H,2-6,8-9,12H2,1H3,(H,21,23)
InChIKeyBHQVNWYBKYWFJN-UHFFFAOYSA-N
XLogP5.12
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.33
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(cycloheptylmethyl)-1-(oxetan-3-ylmethyl)indole-3-carboxamide
CID 71077064
4-bromo-N-(cycloheptylmethyl)-1-[2-(oxetan-3-yl)ethyl]indole-3-carboxamide
CID 71077090
N-(cycloheptylmethyl)-4-methyl-1-propylindole-3-carboxamide
CID 58011311
CID 89144935
CID 89144935
4,6-dichloro-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide
CID 58011331
4-bromo-N-(2-cycloheptylethyl)-1-(2-hydroxyethyl)indole-3-carboxamide
CID 58011335
4-bromo-N-(2-cycloheptylethyl)-1-[2-(oxetan-3-yl)ethyl]indole-3-carboxamide
CID 71077172
3-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
CID 103988581
2-bromo-N-(cyclopentylmethyl)-6-fluorobenzamide
CID 115678359
N-(cyclohexylmethyl)-2,3-dihydroxybenzamide
CID 56679854
4-bromo-N-(cycloheptylmethyl)-1-[4-(2-hydroxyethoxy)butyl]indazole-3-carboxamide
CID 123979565
N-(1-bicyclo[2.2.2]octanylmethyl)-1-ethyl-4-methylindole-3-carboxamide
CID 58011359

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide?
The IUPAC name of 4-bromo-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide (CID 58011456) is 4-bromo-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide?
The canonical SMILES for 4-bromo-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide is CCn1cc(C(=O)NCC2CCCCCC2)c2c(Br)cccc21.
What is the InChIKey of 4-bromo-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide?
The InChIKey is BHQVNWYBKYWFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN2O/c1-2-22-13-15(18-16(20)10-7-11-17(18)22)19(23)21-12-14-8-5-3-4-6-9-14/h7,10-11,13-14H,2-6,8-9,12H2,1H3,(H,21,23).
What are the key properties of 4-bromo-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide?
4-bromo-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide has a molecular weight of 377.33 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide is sourced from PubChem (CID 58011456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).