N-(2-bromo-5-methoxyphenyl)cycloheptanecarboxamide

C15H20BrNO2 — CID 62780708

IUPACN-(2-bromo-5-methoxyphenyl)cycloheptanecarboxamide
SMILESCOc1ccc(Br)c(NC(=O)C2CCCCCC2)c1
InChIInChI=1S/C15H20BrNO2/c1-19-12-8-9-13(16)14(10-12)17-15(18)11-6-4-2-3-5-7-11/h8-11H,2-7H2,1H3,(H,17,18)
InChIKeyHIKNBJNWNSTYSL-UHFFFAOYSA-N
MW326.23 g/mol
LogP4.37
Rot. Bonds3

About N-(2-bromo-5-methoxyphenyl)cycloheptanecarboxamide

N-(2-bromo-5-methoxyphenyl)cycloheptanecarboxamide (PubChem CID 62780708) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is N-(2-bromo-5-methoxyphenyl)cycloheptanecarboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-methoxyphenyl)cycloheptanecarboxamide
PubChem CID62780708
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC NameN-(2-bromo-5-methoxyphenyl)cycloheptanecarboxamide
SMILESCOc1ccc(Br)c(NC(=O)C2CCCCCC2)c1
InChIInChI=1S/C15H20BrNO2/c1-19-12-8-9-13(16)14(10-12)17-15(18)11-6-4-2-3-5-7-11/h8-11H,2-7H2,1H3,(H,17,18)
InChIKeyHIKNBJNWNSTYSL-UHFFFAOYSA-N
XLogP4.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550857
N-(2-hydroxy-4-methoxyphenyl)cyclopentanecarboxamide
CID 146453828
3-amino-N-(2-bromo-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119752414
N-(2-bromo-5-methoxyphenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107178935
N-(2-chloro-4-methoxyphenyl)cyclopentanecarboxamide
CID 110777920
N-(2-bromo-5-methoxyphenyl)-2-cyclopentylacetamide
CID 62416412
N-(2-bromo-5-chlorophenyl)cyclohexanecarboxamide
CID 81272184
N-(2-amino-5-methoxyphenyl)cyclobutanecarboxamide;hydrochloride
CID 119421373
N-(2-bromo-5-methoxyphenyl)piperidine-1-carboxamide
CID 79156264
N-(2-bromo-5-phenylmethoxyphenyl)cyclopentanecarboxamide
CID 58221370
N-(2-amino-4-methoxyphenyl)cyclobutanecarboxamide
CID 16774141
N-(2-bromo-5-methoxyphenyl)-2-cyclobutylacetamide
CID 103707213

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methoxyphenyl)cycloheptanecarboxamide?
The IUPAC name of N-(2-bromo-5-methoxyphenyl)cycloheptanecarboxamide (CID 62780708) is N-(2-bromo-5-methoxyphenyl)cycloheptanecarboxamide.
What is the SMILES notation for N-(2-bromo-5-methoxyphenyl)cycloheptanecarboxamide?
The canonical SMILES for N-(2-bromo-5-methoxyphenyl)cycloheptanecarboxamide is COc1ccc(Br)c(NC(=O)C2CCCCCC2)c1.
What is the InChIKey of N-(2-bromo-5-methoxyphenyl)cycloheptanecarboxamide?
The InChIKey is HIKNBJNWNSTYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-19-12-8-9-13(16)14(10-12)17-15(18)11-6-4-2-3-5-7-11/h8-11H,2-7H2,1H3,(H,17,18).
What are the key properties of N-(2-bromo-5-methoxyphenyl)cycloheptanecarboxamide?
N-(2-bromo-5-methoxyphenyl)cycloheptanecarboxamide has a molecular weight of 326.23 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methoxyphenyl)cycloheptanecarboxamide is sourced from PubChem (CID 62780708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).