N-(2-fluoro-6-phenoxyphenyl)-4-propoxyazepane-1-carboxamide

C22H27FN2O3 — CID 86900798

IUPACN-(2-fluoro-6-phenoxyphenyl)-4-propoxyazepane-1-carboxamide
SMILESCCCOC1CCCN(C(=O)Nc2c(F)cccc2Oc2ccccc2)CC1
InChIInChI=1S/C22H27FN2O3/c1-2-16-27-17-10-7-14-25(15-13-17)22(26)24-21-19(23)11-6-12-20(21)28-18-8-4-3-5-9-18/h3-6,8-9,11-12,17H,2,7,10,13-16H2,1H3,(H,24,26)
InChIKeyXIKCIGZLWLODLK-UHFFFAOYSA-N
MW386.47 g/mol
LogP5.43
Rot. Bonds6

About N-(2-fluoro-6-phenoxyphenyl)-4-propoxyazepane-1-carboxamide

N-(2-fluoro-6-phenoxyphenyl)-4-propoxyazepane-1-carboxamide (PubChem CID 86900798) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is N-(2-fluoro-6-phenoxyphenyl)-4-propoxyazepane-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-6-phenoxyphenyl)-4-propoxyazepane-1-carboxamide
PubChem CID86900798
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC NameN-(2-fluoro-6-phenoxyphenyl)-4-propoxyazepane-1-carboxamide
SMILESCCCOC1CCCN(C(=O)Nc2c(F)cccc2Oc2ccccc2)CC1
InChIInChI=1S/C22H27FN2O3/c1-2-16-27-17-10-7-14-25(15-13-17)22(26)24-21-19(23)11-6-12-20(21)28-18-8-4-3-5-9-18/h3-6,8-9,11-12,17H,2,7,10,13-16H2,1H3,(H,24,26)
InChIKeyXIKCIGZLWLODLK-UHFFFAOYSA-N
XLogP5.43
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.47
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-6-phenoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 75502909
N-(2-fluoro-6-phenoxyphenyl)-2,2-dimethylpyrrolidine-1-carboxamide
CID 86899147
[4-(3-aminopropoxy)piperidin-1-yl]-(2-phenoxyphenyl)methanone;hydrochloride
CID 119662357
(4R)-4-amino-N-(2-phenoxyphenyl)azepane-1-carboxamide
CID 125166844
(3S)-N-(2-fluoro-6-methoxyphenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 99826576
N-[6-(3-methoxyphenoxy)-3-pyridinyl]-3-propoxypiperidine-1-carboxamide
CID 72846235
(3R)-3-[(2,3-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide
CID 93224041
N-(2,6-difluorophenyl)-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122268310
(2,3-difluorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 62662335
(3-aminophenyl)-(4-propoxyazepan-1-yl)methanone;hydrochloride
CID 119780021
(3R)-N-(1-methyl-3-phenylpyrazol-5-yl)-3-propoxypiperidine-1-carboxamide
CID 97453314
N-(2-fluoro-6-methylphenyl)azetidine-1-carboxamide
CID 134177696

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-6-phenoxyphenyl)-4-propoxyazepane-1-carboxamide?
The IUPAC name of N-(2-fluoro-6-phenoxyphenyl)-4-propoxyazepane-1-carboxamide (CID 86900798) is N-(2-fluoro-6-phenoxyphenyl)-4-propoxyazepane-1-carboxamide.
What is the SMILES notation for N-(2-fluoro-6-phenoxyphenyl)-4-propoxyazepane-1-carboxamide?
The canonical SMILES for N-(2-fluoro-6-phenoxyphenyl)-4-propoxyazepane-1-carboxamide is CCCOC1CCCN(C(=O)Nc2c(F)cccc2Oc2ccccc2)CC1.
What is the InChIKey of N-(2-fluoro-6-phenoxyphenyl)-4-propoxyazepane-1-carboxamide?
The InChIKey is XIKCIGZLWLODLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-2-16-27-17-10-7-14-25(15-13-17)22(26)24-21-19(23)11-6-12-20(21)28-18-8-4-3-5-9-18/h3-6,8-9,11-12,17H,2,7,10,13-16H2,1H3,(H,24,26).
What are the key properties of N-(2-fluoro-6-phenoxyphenyl)-4-propoxyazepane-1-carboxamide?
N-(2-fluoro-6-phenoxyphenyl)-4-propoxyazepane-1-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-6-phenoxyphenyl)-4-propoxyazepane-1-carboxamide is sourced from PubChem (CID 86900798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).