N-(azetidin-3-yl)-4-chloro-N-ethyl-2,5-difluorobenzamide

C12H13ClF2N2O — CID 82771645

IUPACN-(azetidin-3-yl)-4-chloro-N-ethyl-2,5-difluorobenzamide
SMILESCCN(C(=O)c1cc(F)c(Cl)cc1F)C1CNC1
InChIInChI=1S/C12H13ClF2N2O/c1-2-17(7-5-16-6-7)12(18)8-3-11(15)9(13)4-10(8)14/h3-4,7,16H,2,5-6H2,1H3
InChIKeyFAQQJCYVPSRNCE-UHFFFAOYSA-N
MW274.70 g/mol
LogP2.05
Rot. Bonds3

About N-(azetidin-3-yl)-4-chloro-N-ethyl-2,5-difluorobenzamide

N-(azetidin-3-yl)-4-chloro-N-ethyl-2,5-difluorobenzamide (PubChem CID 82771645) has the molecular formula C12H13ClF2N2O and a molecular weight of 274.70 g/mol. Its IUPAC name is N-(azetidin-3-yl)-4-chloro-N-ethyl-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-4-chloro-N-ethyl-2,5-difluorobenzamide
PubChem CID82771645
Molecular FormulaC12H13ClF2N2O
Molecular Weight274.70 g/mol
Exact Mass274.07
IUPAC NameN-(azetidin-3-yl)-4-chloro-N-ethyl-2,5-difluorobenzamide
SMILESCCN(C(=O)c1cc(F)c(Cl)cc1F)C1CNC1
InChIInChI=1S/C12H13ClF2N2O/c1-2-17(7-5-16-6-7)12(18)8-3-11(15)9(13)4-10(8)14/h3-4,7,16H,2,5-6H2,1H3
InChIKeyFAQQJCYVPSRNCE-UHFFFAOYSA-N
XLogP2.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide
CID 66182738
4-chloro-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzamide
CID 63299739
5-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzamide
CID 63637963
4-chloro-N-(2-chloroethyl)-N-cyclobutyl-2,5-difluorobenzamide
CID 102872799
4-chloro-N-(cyanomethyl)-N-cyclopentyl-2,5-difluorobenzamide
CID 82771438
2,4-dichloro-5-fluoro-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide
CID 11209793
N-ethyl-2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide
CID 62514257
N-(3-amino-3-sulfanylidenepropyl)-4-chloro-N-cyclopropyl-2,5-difluorobenzamide
CID 82771439
N-(azetidin-3-yl)-N-ethyl-2-hydroxy-5-iodobenzamide
CID 107732147
2-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 63638302
4-bromo-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide
CID 54923872
3-chloro-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide
CID 81264812

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-4-chloro-N-ethyl-2,5-difluorobenzamide?
The IUPAC name of N-(azetidin-3-yl)-4-chloro-N-ethyl-2,5-difluorobenzamide (CID 82771645) is N-(azetidin-3-yl)-4-chloro-N-ethyl-2,5-difluorobenzamide.
What is the SMILES notation for N-(azetidin-3-yl)-4-chloro-N-ethyl-2,5-difluorobenzamide?
The canonical SMILES for N-(azetidin-3-yl)-4-chloro-N-ethyl-2,5-difluorobenzamide is CCN(C(=O)c1cc(F)c(Cl)cc1F)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-4-chloro-N-ethyl-2,5-difluorobenzamide?
The InChIKey is FAQQJCYVPSRNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF2N2O/c1-2-17(7-5-16-6-7)12(18)8-3-11(15)9(13)4-10(8)14/h3-4,7,16H,2,5-6H2,1H3.
What are the key properties of N-(azetidin-3-yl)-4-chloro-N-ethyl-2,5-difluorobenzamide?
N-(azetidin-3-yl)-4-chloro-N-ethyl-2,5-difluorobenzamide has a molecular weight of 274.70 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-4-chloro-N-ethyl-2,5-difluorobenzamide is sourced from PubChem (CID 82771645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).