N-(azepan-4-yl)-2-fluoro-6-methoxy-N-methylbenzamide

C15H21FN2O2 — CID 107172410

IUPACN-(azepan-4-yl)-2-fluoro-6-methoxy-N-methylbenzamide
SMILESCOc1cccc(F)c1C(=O)N(C)C1CCCNCC1
InChIInChI=1S/C15H21FN2O2/c1-18(11-5-4-9-17-10-8-11)15(19)14-12(16)6-3-7-13(14)20-2/h3,6-7,11,17H,4-5,8-10H2,1-2H3
InChIKeyLPUCILMFZPRXMQ-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.05
Rot. Bonds3

About N-(azepan-4-yl)-2-fluoro-6-methoxy-N-methylbenzamide

N-(azepan-4-yl)-2-fluoro-6-methoxy-N-methylbenzamide (PubChem CID 107172410) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-(azepan-4-yl)-2-fluoro-6-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-2-fluoro-6-methoxy-N-methylbenzamide
PubChem CID107172410
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-(azepan-4-yl)-2-fluoro-6-methoxy-N-methylbenzamide
SMILESCOc1cccc(F)c1C(=O)N(C)C1CCCNCC1
InChIInChI=1S/C15H21FN2O2/c1-18(11-5-4-9-17-10-8-11)15(19)14-12(16)6-3-7-13(14)20-2/h3,6-7,11,17H,4-5,8-10H2,1-2H3
InChIKeyLPUCILMFZPRXMQ-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

2,6-dimethoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 43602191
N-(azepan-4-yl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 107172564
2,6-difluoro-N-methyl-N-piperidin-3-ylbenzamide
CID 60806728
2-methoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 43602173
N-(azepan-4-yl)-2-fluoro-6-methoxybenzamide
CID 105059143
N-(2-bromocyclohexyl)-2-fluoro-6-methoxy-N-methylbenzamide
CID 102638292
2,6-difluoro-N,3-dimethyl-N-piperidin-4-ylbenzamide
CID 82816537
2,3-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444296
2,3-dimethoxy-N-methyl-N-piperidin-3-ylbenzamide
CID 60807050
N-(azepan-4-yl)-2,3-dihydroxy-N-methylbenzamide
CID 107172531
2,4,6-trifluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 65100676
1-(azepan-4-yl)-3-(2-fluorophenyl)-1-methylurea
CID 107172661

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-2-fluoro-6-methoxy-N-methylbenzamide?
The IUPAC name of N-(azepan-4-yl)-2-fluoro-6-methoxy-N-methylbenzamide (CID 107172410) is N-(azepan-4-yl)-2-fluoro-6-methoxy-N-methylbenzamide.
What is the SMILES notation for N-(azepan-4-yl)-2-fluoro-6-methoxy-N-methylbenzamide?
The canonical SMILES for N-(azepan-4-yl)-2-fluoro-6-methoxy-N-methylbenzamide is COc1cccc(F)c1C(=O)N(C)C1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-2-fluoro-6-methoxy-N-methylbenzamide?
The InChIKey is LPUCILMFZPRXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-18(11-5-4-9-17-10-8-11)15(19)14-12(16)6-3-7-13(14)20-2/h3,6-7,11,17H,4-5,8-10H2,1-2H3.
What are the key properties of N-(azepan-4-yl)-2-fluoro-6-methoxy-N-methylbenzamide?
N-(azepan-4-yl)-2-fluoro-6-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)-2-fluoro-6-methoxy-N-methylbenzamide is sourced from PubChem (CID 107172410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).