N-(azepan-3-yl)-3-bromo-2-fluorobenzamide

C13H16BrFN2O — CID 107956133

IUPACN-(azepan-3-yl)-3-bromo-2-fluorobenzamide
SMILESO=C(NC1CCCCNC1)c1cccc(Br)c1F
InChIInChI=1S/C13H16BrFN2O/c14-11-6-3-5-10(12(11)15)13(18)17-9-4-1-2-7-16-8-9/h3,5-6,9,16H,1-2,4,7-8H2,(H,17,18)
InChIKeyBDJKSOWYPDNLDL-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.46
Rot. Bonds2

About N-(azepan-3-yl)-3-bromo-2-fluorobenzamide

N-(azepan-3-yl)-3-bromo-2-fluorobenzamide (PubChem CID 107956133) has the molecular formula C13H16BrFN2O and a molecular weight of 315.19 g/mol. Its IUPAC name is N-(azepan-3-yl)-3-bromo-2-fluorobenzamide.

Molecular Properties

Compound NameN-(azepan-3-yl)-3-bromo-2-fluorobenzamide
PubChem CID107956133
Molecular FormulaC13H16BrFN2O
Molecular Weight315.19 g/mol
Exact Mass314.04
IUPAC NameN-(azepan-3-yl)-3-bromo-2-fluorobenzamide
SMILESO=C(NC1CCCCNC1)c1cccc(Br)c1F
InChIInChI=1S/C13H16BrFN2O/c14-11-6-3-5-10(12(11)15)13(18)17-9-4-1-2-7-16-8-9/h3,5-6,9,16H,1-2,4,7-8H2,(H,17,18)
InChIKeyBDJKSOWYPDNLDL-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(azepan-3-yl)-3-bromo-2-fluorobenzamide 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

2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428838
3-bromo-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688434
3-chloro-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 81265233
3-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79689154
N-(azepan-3-yl)-3-bromo-4-fluorobenzamide
CID 114020396
2,3-dihydroxy-N-piperidin-3-ylbenzamide
CID 114343480
2-amino-N-piperidin-3-ylbenzamide
CID 70159342
2-bromo-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)benzamide
CID 104645323
2-bromo-5-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79687966
(3-bromo-2-fluorophenyl)-piperidin-3-ylmethanone
CID 106647090
3-bromo-2-fluoro-N-(2-hydroxycycloheptyl)benzamide
CID 107953230
N-cyclohexyl-2-fluoro-3-piperidin-4-ylbenzamide
CID 166001097

Frequently Asked Questions

What is the IUPAC name of N-(azepan-3-yl)-3-bromo-2-fluorobenzamide?
The IUPAC name of N-(azepan-3-yl)-3-bromo-2-fluorobenzamide (CID 107956133) is N-(azepan-3-yl)-3-bromo-2-fluorobenzamide.
What is the SMILES notation for N-(azepan-3-yl)-3-bromo-2-fluorobenzamide?
The canonical SMILES for N-(azepan-3-yl)-3-bromo-2-fluorobenzamide is O=C(NC1CCCCNC1)c1cccc(Br)c1F.
What is the InChIKey of N-(azepan-3-yl)-3-bromo-2-fluorobenzamide?
The InChIKey is BDJKSOWYPDNLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O/c14-11-6-3-5-10(12(11)15)13(18)17-9-4-1-2-7-16-8-9/h3,5-6,9,16H,1-2,4,7-8H2,(H,17,18).
What are the key properties of N-(azepan-3-yl)-3-bromo-2-fluorobenzamide?
N-(azepan-3-yl)-3-bromo-2-fluorobenzamide has a molecular weight of 315.19 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-3-yl)-3-bromo-2-fluorobenzamide is sourced from PubChem (CID 107956133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).