N-[[1-(2,5-difluorobenzoyl)azetidin-2-yl]methyl]-2,5-difluoro-N-methylbenzamide

C19H16F4N2O2 — CID 166390622

IUPACN-[[1-(2,5-difluorobenzoyl)azetidin-2-yl]methyl]-2,5-difluoro-N-methylbenzamide
SMILESCN(CC1CCN1C(=O)c1cc(F)ccc1F)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C19H16F4N2O2/c1-24(18(26)14-8-11(20)2-4-16(14)22)10-13-6-7-25(13)19(27)15-9-12(21)3-5-17(15)23/h2-5,8-9,13H,6-7,10H2,1H3
InChIKeyJEMSOIYFJKASSA-UHFFFAOYSA-N
MW380.34 g/mol
LogP3.23
Rot. Bonds4

About N-[[1-(2,5-difluorobenzoyl)azetidin-2-yl]methyl]-2,5-difluoro-N-methylbenzamide

N-[[1-(2,5-difluorobenzoyl)azetidin-2-yl]methyl]-2,5-difluoro-N-methylbenzamide (PubChem CID 166390622) has the molecular formula C19H16F4N2O2 and a molecular weight of 380.34 g/mol. Its IUPAC name is N-[[1-(2,5-difluorobenzoyl)azetidin-2-yl]methyl]-2,5-difluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[[1-(2,5-difluorobenzoyl)azetidin-2-yl]methyl]-2,5-difluoro-N-methylbenzamide
PubChem CID166390622
Molecular FormulaC19H16F4N2O2
Molecular Weight380.34 g/mol
Exact Mass380.11
IUPAC NameN-[[1-(2,5-difluorobenzoyl)azetidin-2-yl]methyl]-2,5-difluoro-N-methylbenzamide
SMILESCN(CC1CCN1C(=O)c1cc(F)ccc1F)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C19H16F4N2O2/c1-24(18(26)14-8-11(20)2-4-16(14)22)10-13-6-7-25(13)19(27)15-9-12(21)3-5-17(15)23/h2-5,8-9,13H,6-7,10H2,1H3
InChIKeyJEMSOIYFJKASSA-UHFFFAOYSA-N
XLogP3.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone;hydrochloride
CID 119631884
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,5-difluorophenyl)methanone
CID 115963358
(2-bromo-5-fluorophenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62888810
2-fluoro-N,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 79313807
N-(cyclopropylmethyl)-2,4-difluoro-N-methylbenzamide
CID 94158144
(2-amino-4-fluorophenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 63110422
2-bromo-4-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 79318747
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluoro-2-iodo-N-methylbenzamide
CID 103720335
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,5-difluorophenyl)methanone
CID 95357640
N-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 79882440
(3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,5-difluorophenyl)methanone
CID 115275242
1-(2,5-difluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone
CID 62547329

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,5-difluorobenzoyl)azetidin-2-yl]methyl]-2,5-difluoro-N-methylbenzamide?
The IUPAC name of N-[[1-(2,5-difluorobenzoyl)azetidin-2-yl]methyl]-2,5-difluoro-N-methylbenzamide (CID 166390622) is N-[[1-(2,5-difluorobenzoyl)azetidin-2-yl]methyl]-2,5-difluoro-N-methylbenzamide.
What is the SMILES notation for N-[[1-(2,5-difluorobenzoyl)azetidin-2-yl]methyl]-2,5-difluoro-N-methylbenzamide?
The canonical SMILES for N-[[1-(2,5-difluorobenzoyl)azetidin-2-yl]methyl]-2,5-difluoro-N-methylbenzamide is CN(CC1CCN1C(=O)c1cc(F)ccc1F)C(=O)c1cc(F)ccc1F.
What is the InChIKey of N-[[1-(2,5-difluorobenzoyl)azetidin-2-yl]methyl]-2,5-difluoro-N-methylbenzamide?
The InChIKey is JEMSOIYFJKASSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N2O2/c1-24(18(26)14-8-11(20)2-4-16(14)22)10-13-6-7-25(13)19(27)15-9-12(21)3-5-17(15)23/h2-5,8-9,13H,6-7,10H2,1H3.
What are the key properties of N-[[1-(2,5-difluorobenzoyl)azetidin-2-yl]methyl]-2,5-difluoro-N-methylbenzamide?
N-[[1-(2,5-difluorobenzoyl)azetidin-2-yl]methyl]-2,5-difluoro-N-methylbenzamide has a molecular weight of 380.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,5-difluorobenzoyl)azetidin-2-yl]methyl]-2,5-difluoro-N-methylbenzamide is sourced from PubChem (CID 166390622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).