N-(azepan-4-yl)-2-fluoro-6-methoxybenzamide

C14H19FN2O2 — CID 105059143

IUPACN-(azepan-4-yl)-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NC1CCCNCC1
InChIInChI=1S/C14H19FN2O2/c1-19-12-6-2-5-11(15)13(12)14(18)17-10-4-3-8-16-9-7-10/h2,5-6,10,16H,3-4,7-9H2,1H3,(H,17,18)
InChIKeyXEELYAUWAWSYMH-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.71
Rot. Bonds3

About N-(azepan-4-yl)-2-fluoro-6-methoxybenzamide

N-(azepan-4-yl)-2-fluoro-6-methoxybenzamide (PubChem CID 105059143) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-(azepan-4-yl)-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-2-fluoro-6-methoxybenzamide
PubChem CID105059143
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-(azepan-4-yl)-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NC1CCCNCC1
InChIInChI=1S/C14H19FN2O2/c1-19-12-6-2-5-11(15)13(12)14(18)17-10-4-3-8-16-9-7-10/h2,5-6,10,16H,3-4,7-9H2,1H3,(H,17,18)
InChIKeyXEELYAUWAWSYMH-UHFFFAOYSA-N
XLogP1.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385702
N-(4-bromocyclohexyl)-2-fluoro-6-methoxybenzamide
CID 114309013
N-(4-aminocyclohexyl)-2-fluoro-6-methoxybenzamide;hydrochloride
CID 119475803
N-(azepan-4-yl)-2,6-dihydroxybenzamide
CID 107690520
2-fluoro-6-hydroxy-N-[(3S)-piperidin-3-yl]benzamide
CID 107016089
2-fluoro-6-methoxy-N-(2-piperidin-4-yloxyethyl)benzamide
CID 65434238
2,6-difluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689143
2-fluoro-6-methoxy-N-(piperidin-3-ylmethyl)benzamide
CID 65433806
2-methoxy-N-piperidin-4-ylbenzamide
CID 16780894
cis-(1S,3R)-3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675723
N-(azepan-4-yl)-2-fluoro-6-methoxy-N-methylbenzamide
CID 107172410
N-[2-(cycloheptylamino)ethyl]-2-fluoro-6-methoxybenzamide
CID 119619869

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-2-fluoro-6-methoxybenzamide?
The IUPAC name of N-(azepan-4-yl)-2-fluoro-6-methoxybenzamide (CID 105059143) is N-(azepan-4-yl)-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for N-(azepan-4-yl)-2-fluoro-6-methoxybenzamide?
The canonical SMILES for N-(azepan-4-yl)-2-fluoro-6-methoxybenzamide is COc1cccc(F)c1C(=O)NC1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-2-fluoro-6-methoxybenzamide?
The InChIKey is XEELYAUWAWSYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-19-12-6-2-5-11(15)13(12)14(18)17-10-4-3-8-16-9-7-10/h2,5-6,10,16H,3-4,7-9H2,1H3,(H,17,18).
What are the key properties of N-(azepan-4-yl)-2-fluoro-6-methoxybenzamide?
N-(azepan-4-yl)-2-fluoro-6-methoxybenzamide has a molecular weight of 266.32 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 105059143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).