2-bromo-N-(1-cyanocycloheptyl)-5-methoxybenzamide

C16H19BrN2O2 — CID 60967528

IUPAC2-bromo-N-(1-cyanocycloheptyl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NC2(C#N)CCCCCC2)c1
InChIInChI=1S/C16H19BrN2O2/c1-21-12-6-7-14(17)13(10-12)15(20)19-16(11-18)8-4-2-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3,(H,19,20)
InChIKeyGUATYMDFHATWRD-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.80
Rot. Bonds3

About 2-bromo-N-(1-cyanocycloheptyl)-5-methoxybenzamide

2-bromo-N-(1-cyanocycloheptyl)-5-methoxybenzamide (PubChem CID 60967528) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 2-bromo-N-(1-cyanocycloheptyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-(1-cyanocycloheptyl)-5-methoxybenzamide
PubChem CID60967528
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name2-bromo-N-(1-cyanocycloheptyl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NC2(C#N)CCCCCC2)c1
InChIInChI=1S/C16H19BrN2O2/c1-21-12-6-7-14(17)13(10-12)15(20)19-16(11-18)8-4-2-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3,(H,19,20)
InChIKeyGUATYMDFHATWRD-UHFFFAOYSA-N
XLogP3.80
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-N-(1-cyanocycloheptyl)-5-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-cyanocyclohexyl)-2-hydroxy-5-methoxybenzamide
CID 60717143
N-(1-cyanocyclopentyl)-2,4-dimethoxybenzamide
CID 60704649
N-(1-cyanocycloheptyl)-3-methoxybenzamide
CID 60967258
2-bromo-5-methoxy-N-(1-methylcyclopropyl)benzamide
CID 115634288
2-[1-[(2-bromo-5-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64671810
3-bromo-N-(1-cyanocycloheptyl)-2-fluorobenzamide
CID 106547595
methyl 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]amino]-5-methoxybenzoate
CID 47077797
N-(1-cyano-4-methylcyclohexyl)-2-fluoro-4-methoxybenzamide
CID 102883092
2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethoxy]-4-methoxybenzamide
CID 47014344
3-bromo-N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 103707335
2-bromo-N-(4-cyano-1-methylpiperidin-4-yl)-5-fluorobenzamide
CID 60967999
2-amino-N-(1-cyanocyclohexyl)benzamide
CID 110474346

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-cyanocycloheptyl)-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-(1-cyanocycloheptyl)-5-methoxybenzamide (CID 60967528) is 2-bromo-N-(1-cyanocycloheptyl)-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-(1-cyanocycloheptyl)-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-(1-cyanocycloheptyl)-5-methoxybenzamide is COc1ccc(Br)c(C(=O)NC2(C#N)CCCCCC2)c1.
What is the InChIKey of 2-bromo-N-(1-cyanocycloheptyl)-5-methoxybenzamide?
The InChIKey is GUATYMDFHATWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-21-12-6-7-14(17)13(10-12)15(20)19-16(11-18)8-4-2-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3,(H,19,20).
What are the key properties of 2-bromo-N-(1-cyanocycloheptyl)-5-methoxybenzamide?
2-bromo-N-(1-cyanocycloheptyl)-5-methoxybenzamide has a molecular weight of 351.24 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-cyanocycloheptyl)-5-methoxybenzamide is sourced from PubChem (CID 60967528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).