N-(2-fluoro-5-methoxyphenyl)azepane-1-carboxamide

C14H19FN2O2 — CID 115687770

IUPACN-(2-fluoro-5-methoxyphenyl)azepane-1-carboxamide
SMILESCOc1ccc(F)c(NC(=O)N2CCCCCC2)c1
InChIInChI=1S/C14H19FN2O2/c1-19-11-6-7-12(15)13(10-11)16-14(18)17-8-4-2-3-5-9-17/h6-7,10H,2-5,8-9H2,1H3,(H,16,18)
InChIKeyMLSKSTCYIJAIKV-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.24
Rot. Bonds2

About N-(2-fluoro-5-methoxyphenyl)azepane-1-carboxamide

N-(2-fluoro-5-methoxyphenyl)azepane-1-carboxamide (PubChem CID 115687770) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-(2-fluoro-5-methoxyphenyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methoxyphenyl)azepane-1-carboxamide
PubChem CID115687770
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-(2-fluoro-5-methoxyphenyl)azepane-1-carboxamide
SMILESCOc1ccc(F)c(NC(=O)N2CCCCCC2)c1
InChIInChI=1S/C14H19FN2O2/c1-19-11-6-7-12(15)13(10-11)16-14(18)17-8-4-2-3-5-9-17/h6-7,10H,2-5,8-9H2,1H3,(H,16,18)
InChIKeyMLSKSTCYIJAIKV-UHFFFAOYSA-N
XLogP3.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(2-fluoro-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120687
N-(2-fluoro-5-methoxyphenyl)morpholine-4-carboxamide
CID 115687771
N-(2-amino-5-methoxyphenyl)piperidine-1-carboxamide
CID 79155990
N-(2-bromo-5-methoxyphenyl)piperidine-1-carboxamide
CID 79156264
4-methoxy-2-(pyrrolidine-1-carbonylamino)benzoic acid
CID 113304995
N-(2-fluoro-5-methylphenyl)pyrrolidine-1-carboxamide
CID 47032428
N-(2,5-difluorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 3258791
N-(4-fluoro-3-methoxyphenyl)azepane-1-carboxamide
CID 114839187
N-(4-bromo-2,5-difluorophenyl)piperidine-1-carboxamide
CID 107610837
N-(2,3,4-trifluorophenyl)azepane-1-carboxamide
CID 47193814
(3aS,6aR)-2-[(2-fluoro-5-methoxyphenyl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122086530
azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 113218844

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methoxyphenyl)azepane-1-carboxamide?
The IUPAC name of N-(2-fluoro-5-methoxyphenyl)azepane-1-carboxamide (CID 115687770) is N-(2-fluoro-5-methoxyphenyl)azepane-1-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-methoxyphenyl)azepane-1-carboxamide?
The canonical SMILES for N-(2-fluoro-5-methoxyphenyl)azepane-1-carboxamide is COc1ccc(F)c(NC(=O)N2CCCCCC2)c1.
What is the InChIKey of N-(2-fluoro-5-methoxyphenyl)azepane-1-carboxamide?
The InChIKey is MLSKSTCYIJAIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-19-11-6-7-12(15)13(10-11)16-14(18)17-8-4-2-3-5-9-17/h6-7,10H,2-5,8-9H2,1H3,(H,16,18).
What are the key properties of N-(2-fluoro-5-methoxyphenyl)azepane-1-carboxamide?
N-(2-fluoro-5-methoxyphenyl)azepane-1-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methoxyphenyl)azepane-1-carboxamide is sourced from PubChem (CID 115687770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).