N-(2-aminocycloheptyl)-5-bromo-2-methylbenzamide

C15H21BrN2O — CID 65312155

IUPACN-(2-aminocycloheptyl)-5-bromo-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NC1CCCCCC1N
InChIInChI=1S/C15H21BrN2O/c1-10-7-8-11(16)9-12(10)15(19)18-14-6-4-2-3-5-13(14)17/h7-9,13-14H,2-6,17H2,1H3,(H,18,19)
InChIKeyNHFNDWXHLHFUJU-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.15
Rot. Bonds2

About N-(2-aminocycloheptyl)-5-bromo-2-methylbenzamide

N-(2-aminocycloheptyl)-5-bromo-2-methylbenzamide (PubChem CID 65312155) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-(2-aminocycloheptyl)-5-bromo-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminocycloheptyl)-5-bromo-2-methylbenzamide
PubChem CID65312155
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-(2-aminocycloheptyl)-5-bromo-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NC1CCCCCC1N
InChIInChI=1S/C15H21BrN2O/c1-10-7-8-11(16)9-12(10)15(19)18-14-6-4-2-3-5-13(14)17/h7-9,13-14H,2-6,17H2,1H3,(H,18,19)
InChIKeyNHFNDWXHLHFUJU-UHFFFAOYSA-N
XLogP3.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide
CID 113395138
5-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzamide
CID 104956752
5-bromo-N-[2-(bromomethyl)cyclopentyl]-2-methylbenzamide
CID 106366608
5-bromo-N-cyclobutyl-2-methylbenzamide
CID 65309674
N-(2-aminocycloheptyl)-2-chloro-4-methylbenzamide
CID 106862132
4-bromo-N-(2-bromocycloheptyl)-2-methylbenzamide
CID 113395123
4-bromo-N-(2-chlorocycloheptyl)-2-methylbenzamide
CID 113395058
4-bromo-N-(2-bromocyclohexyl)-2-methylbenzamide
CID 113275078
N-(azepan-3-yl)-5-bromo-2-methylbenzamide
CID 65311485
N-(2-aminocyclohexyl)-3-fluoro-4-methylbenzamide
CID 61038354
4-bromo-N-(2-chlorocyclohexyl)-2-methylbenzamide
CID 113272606
N-(2-aminocycloheptyl)-4-hydroxy-3-methylbenzamide
CID 107672030

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocycloheptyl)-5-bromo-2-methylbenzamide?
The IUPAC name of N-(2-aminocycloheptyl)-5-bromo-2-methylbenzamide (CID 65312155) is N-(2-aminocycloheptyl)-5-bromo-2-methylbenzamide.
What is the SMILES notation for N-(2-aminocycloheptyl)-5-bromo-2-methylbenzamide?
The canonical SMILES for N-(2-aminocycloheptyl)-5-bromo-2-methylbenzamide is Cc1ccc(Br)cc1C(=O)NC1CCCCCC1N.
What is the InChIKey of N-(2-aminocycloheptyl)-5-bromo-2-methylbenzamide?
The InChIKey is NHFNDWXHLHFUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-10-7-8-11(16)9-12(10)15(19)18-14-6-4-2-3-5-13(14)17/h7-9,13-14H,2-6,17H2,1H3,(H,18,19).
What are the key properties of N-(2-aminocycloheptyl)-5-bromo-2-methylbenzamide?
N-(2-aminocycloheptyl)-5-bromo-2-methylbenzamide has a molecular weight of 325.25 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocycloheptyl)-5-bromo-2-methylbenzamide is sourced from PubChem (CID 65312155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).