N-cyclopropyl-N-ethyl-2,3-difluorobenzamide

C12H13F2NO — CID 62649850

IUPACN-cyclopropyl-N-ethyl-2,3-difluorobenzamide
SMILESCCN(C(=O)c1cccc(F)c1F)C1CC1
InChIInChI=1S/C12H13F2NO/c1-2-15(8-6-7-8)12(16)9-4-3-5-10(13)11(9)14/h3-5,8H,2,6-7H2,1H3
InChIKeyWPOBLQPPDFJQLX-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.59
Rot. Bonds3

About N-cyclopropyl-N-ethyl-2,3-difluorobenzamide

N-cyclopropyl-N-ethyl-2,3-difluorobenzamide (PubChem CID 62649850) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2,3-difluorobenzamide
PubChem CID62649850
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC NameN-cyclopropyl-N-ethyl-2,3-difluorobenzamide
SMILESCCN(C(=O)c1cccc(F)c1F)C1CC1
InChIInChI=1S/C12H13F2NO/c1-2-15(8-6-7-8)12(16)9-4-3-5-10(13)11(9)14/h3-5,8H,2,6-7H2,1H3
InChIKeyWPOBLQPPDFJQLX-UHFFFAOYSA-N
XLogP2.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclopentyl-N-ethyl-2,3-difluorobenzamide
CID 55101771
N-butyl-N-cyclopropyl-2,3-difluorobenzamide
CID 55210520
N-benzyl-N-cyclopropyl-2,3-difluorobenzamide
CID 62661017
N-ethyl-2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81477812
N-cyclohexyl-N-ethyl-3-fluoro-2-(methylamino)benzamide
CID 62650072
N-[2-[cyclopropyl(ethyl)amino]ethyl]-2,3-difluorobenzamide
CID 103638605
N-cyclohexyl-N-ethyl-2-(ethylamino)-3-fluorobenzamide
CID 62650074
3-chloro-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide
CID 81264812
2,3-difluoro-N-methyl-N-propylbenzamide
CID 62649186
3-[cyclopropyl-(2-fluorobenzoyl)amino]propanoic acid
CID 54926357
N-(2-amino-2-oxoethyl)-N-ethyl-2,3-difluorobenzamide
CID 103101747
2,3-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444296

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-2,3-difluorobenzamide?
The IUPAC name of N-cyclopropyl-N-ethyl-2,3-difluorobenzamide (CID 62649850) is N-cyclopropyl-N-ethyl-2,3-difluorobenzamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2,3-difluorobenzamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-2,3-difluorobenzamide is CCN(C(=O)c1cccc(F)c1F)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2,3-difluorobenzamide?
The InChIKey is WPOBLQPPDFJQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c1-2-15(8-6-7-8)12(16)9-4-3-5-10(13)11(9)14/h3-5,8H,2,6-7H2,1H3.
What are the key properties of N-cyclopropyl-N-ethyl-2,3-difluorobenzamide?
N-cyclopropyl-N-ethyl-2,3-difluorobenzamide has a molecular weight of 225.24 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-2,3-difluorobenzamide is sourced from PubChem (CID 62649850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).