N-(azepan-4-yl)-4-fluoro-3-methoxy-N-methylbenzamide

C15H21FN2O2 — CID 107172564

IUPACN-(azepan-4-yl)-4-fluoro-3-methoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)C2CCCNCC2)ccc1F
InChIInChI=1S/C15H21FN2O2/c1-18(12-4-3-8-17-9-7-12)15(19)11-5-6-13(16)14(10-11)20-2/h5-6,10,12,17H,3-4,7-9H2,1-2H3
InChIKeyKGNLGCPXMWLHOL-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.05
Rot. Bonds3

About N-(azepan-4-yl)-4-fluoro-3-methoxy-N-methylbenzamide

N-(azepan-4-yl)-4-fluoro-3-methoxy-N-methylbenzamide (PubChem CID 107172564) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-(azepan-4-yl)-4-fluoro-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-4-fluoro-3-methoxy-N-methylbenzamide
PubChem CID107172564
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-(azepan-4-yl)-4-fluoro-3-methoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)C2CCCNCC2)ccc1F
InChIInChI=1S/C15H21FN2O2/c1-18(12-4-3-8-17-9-7-12)15(19)11-5-6-13(16)14(10-11)20-2/h5-6,10,12,17H,3-4,7-9H2,1-2H3
InChIKeyKGNLGCPXMWLHOL-UHFFFAOYSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azetidin-3-yl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 81284942
N-(azepan-4-yl)-2-fluoro-6-methoxy-N-methylbenzamide
CID 107172410
N-(azepan-4-yl)-3,4-dihydroxy-N-methylbenzamide
CID 107728861
3-methoxy-N-methyl-N-piperidin-4-yl-4-propan-2-yloxybenzamide
CID 119443778
4-chloro-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 107990085
4-(4-chlorophenoxy)-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 119443707
N-(azepan-4-yl)-4-bromo-N-methylbenzamide
CID 104974446
N-(azepan-4-yl)-3-chloro-4-iodo-N-methylbenzamide
CID 104974458
4-cyclopentyloxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552147
4-(3,4-difluorophenoxy)-N-methyl-N-piperidin-4-ylbenzamide
CID 119442811
4-fluoro-3-methoxy-N-methyl-N-(2-methylsulfonylcyclohexyl)benzamide
CID 122145136
3-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443779

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-4-fluoro-3-methoxy-N-methylbenzamide?
The IUPAC name of N-(azepan-4-yl)-4-fluoro-3-methoxy-N-methylbenzamide (CID 107172564) is N-(azepan-4-yl)-4-fluoro-3-methoxy-N-methylbenzamide.
What is the SMILES notation for N-(azepan-4-yl)-4-fluoro-3-methoxy-N-methylbenzamide?
The canonical SMILES for N-(azepan-4-yl)-4-fluoro-3-methoxy-N-methylbenzamide is COc1cc(C(=O)N(C)C2CCCNCC2)ccc1F.
What is the InChIKey of N-(azepan-4-yl)-4-fluoro-3-methoxy-N-methylbenzamide?
The InChIKey is KGNLGCPXMWLHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-18(12-4-3-8-17-9-7-12)15(19)11-5-6-13(16)14(10-11)20-2/h5-6,10,12,17H,3-4,7-9H2,1-2H3.
What are the key properties of N-(azepan-4-yl)-4-fluoro-3-methoxy-N-methylbenzamide?
N-(azepan-4-yl)-4-fluoro-3-methoxy-N-methylbenzamide has a molecular weight of 280.34 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-4-fluoro-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 107172564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).