N-cyclopentyl-N-ethyl-2,3-difluorobenzamide

C14H17F2NO — CID 55101771

IUPACN-cyclopentyl-N-ethyl-2,3-difluorobenzamide
SMILESCCN(C(=O)c1cccc(F)c1F)C1CCCC1
InChIInChI=1S/C14H17F2NO/c1-2-17(10-6-3-4-7-10)14(18)11-8-5-9-12(15)13(11)16/h5,8-10H,2-4,6-7H2,1H3
InChIKeyAJJVULCNISYUEB-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.37
Rot. Bonds3

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

N-cyclopentyl-N-ethyl-2,3-difluorobenzamide (PubChem CID 55101771) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-2,3-difluorobenzamide
PubChem CID55101771
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC NameN-cyclopentyl-N-ethyl-2,3-difluorobenzamide
SMILESCCN(C(=O)c1cccc(F)c1F)C1CCCC1
InChIInChI=1S/C14H17F2NO/c1-2-17(10-6-3-4-7-10)14(18)11-8-5-9-12(15)13(11)16/h5,8-10H,2-4,6-7H2,1H3
InChIKeyAJJVULCNISYUEB-UHFFFAOYSA-N
XLogP3.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclopropyl-N-ethyl-2,3-difluorobenzamide
CID 62649850
N-cyclohexyl-N-ethyl-3-fluoro-2-(methylamino)benzamide
CID 62650072
N-cyclohexyl-N-ethyl-2-(ethylamino)-3-fluorobenzamide
CID 62650074
N-butyl-N-cyclopropyl-2,3-difluorobenzamide
CID 55210520
N-ethyl-2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81477812
N-benzyl-N-cyclopropyl-2,3-difluorobenzamide
CID 62661017
N-cyclopentyl-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384908
N-cyclopentyl-N-ethyl-3-fluoropyridine-4-carboxamide
CID 115645775
3-chloro-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide
CID 81264812
N-cyclohexyl-2-(2,6-difluoroanilino)-N-ethylacetamide
CID 78822634
4-bromo-N-cyclohexyl-N-ethyl-2-fluorobenzamide
CID 24693418
N-[2-[cyclopropyl(ethyl)amino]ethyl]-2,3-difluorobenzamide
CID 103638605

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-2,3-difluorobenzamide?
The IUPAC name of N-cyclopentyl-N-ethyl-2,3-difluorobenzamide (CID 55101771) is N-cyclopentyl-N-ethyl-2,3-difluorobenzamide.
What is the SMILES notation for N-cyclopentyl-N-ethyl-2,3-difluorobenzamide?
The canonical SMILES for N-cyclopentyl-N-ethyl-2,3-difluorobenzamide is CCN(C(=O)c1cccc(F)c1F)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-ethyl-2,3-difluorobenzamide?
The InChIKey is AJJVULCNISYUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c1-2-17(10-6-3-4-7-10)14(18)11-8-5-9-12(15)13(11)16/h5,8-10H,2-4,6-7H2,1H3.
What are the key properties of N-cyclopentyl-N-ethyl-2,3-difluorobenzamide?
N-cyclopentyl-N-ethyl-2,3-difluorobenzamide has a molecular weight of 253.29 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-2,3-difluorobenzamide is sourced from PubChem (CID 55101771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).