N-(azepan-4-yl)-3-bromo-N,2-dimethylbenzamide

C15H21BrN2O — CID 104974738

IUPACN-(azepan-4-yl)-3-bromo-N,2-dimethylbenzamide
SMILESCc1c(Br)cccc1C(=O)N(C)C1CCCNCC1
InChIInChI=1S/C15H21BrN2O/c1-11-13(6-3-7-14(11)16)15(19)18(2)12-5-4-9-17-10-8-12/h3,6-7,12,17H,4-5,8-10H2,1-2H3
InChIKeyCFSQEZIUWPIFDM-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.97
Rot. Bonds2

About N-(azepan-4-yl)-3-bromo-N,2-dimethylbenzamide

N-(azepan-4-yl)-3-bromo-N,2-dimethylbenzamide (PubChem CID 104974738) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-(azepan-4-yl)-3-bromo-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-3-bromo-N,2-dimethylbenzamide
PubChem CID104974738
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-(azepan-4-yl)-3-bromo-N,2-dimethylbenzamide
SMILESCc1c(Br)cccc1C(=O)N(C)C1CCCNCC1
InChIInChI=1S/C15H21BrN2O/c1-11-13(6-3-7-14(11)16)15(19)18(2)12-5-4-9-17-10-8-12/h3,6-7,12,17H,4-5,8-10H2,1-2H3
InChIKeyCFSQEZIUWPIFDM-UHFFFAOYSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(azepan-4-yl)-3-bromo-N,2-dimethylbenzamide 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-(azepan-4-yl)-2,3-dihydroxy-N-methylbenzamide
CID 107172531
N-(azepan-4-yl)-2-chloro-N-methylbenzamide
CID 104974708
N-(azepan-4-yl)-4-bromo-N,2-dimethylbenzamide
CID 104974736
N,2,3-trimethyl-N-piperidin-3-ylbenzamide
CID 54923746
2-bromo-N-cycloheptyl-N-methylbenzamide
CID 43409214
N-(azepan-4-yl)-N,3-dimethyl-2-nitrobenzamide
CID 107172411
N-(azepan-4-yl)-4-bromo-N-methylbenzamide
CID 104974446
3-bromo-N-cyclopropyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628507
3-hydroxy-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 82829855
2-bromo-5-fluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444450
2-bromo-N-methyl-N-piperidin-4-ylfuran-3-carboxamide
CID 106855036
2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 107983110

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-3-bromo-N,2-dimethylbenzamide?
The IUPAC name of N-(azepan-4-yl)-3-bromo-N,2-dimethylbenzamide (CID 104974738) is N-(azepan-4-yl)-3-bromo-N,2-dimethylbenzamide.
What is the SMILES notation for N-(azepan-4-yl)-3-bromo-N,2-dimethylbenzamide?
The canonical SMILES for N-(azepan-4-yl)-3-bromo-N,2-dimethylbenzamide is Cc1c(Br)cccc1C(=O)N(C)C1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-3-bromo-N,2-dimethylbenzamide?
The InChIKey is CFSQEZIUWPIFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-11-13(6-3-7-14(11)16)15(19)18(2)12-5-4-9-17-10-8-12/h3,6-7,12,17H,4-5,8-10H2,1-2H3.
What are the key properties of N-(azepan-4-yl)-3-bromo-N,2-dimethylbenzamide?
N-(azepan-4-yl)-3-bromo-N,2-dimethylbenzamide has a molecular weight of 325.25 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-3-bromo-N,2-dimethylbenzamide is sourced from PubChem (CID 104974738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).