N-cyclopentyl-N-ethyl-4-(ethylamino)-3,5-difluorobenzamide

C16H22F2N2O — CID 63185045

IUPACN-cyclopentyl-N-ethyl-4-(ethylamino)-3,5-difluorobenzamide
SMILESCCNc1c(F)cc(C(=O)N(CC)C2CCCC2)cc1F
InChIInChI=1S/C16H22F2N2O/c1-3-19-15-13(17)9-11(10-14(15)18)16(21)20(4-2)12-7-5-6-8-12/h9-10,12,19H,3-8H2,1-2H3
InChIKeyBDYHVQCNMSDBRT-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.80
Rot. Bonds5

About N-cyclopentyl-N-ethyl-4-(ethylamino)-3,5-difluorobenzamide

N-cyclopentyl-N-ethyl-4-(ethylamino)-3,5-difluorobenzamide (PubChem CID 63185045) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-4-(ethylamino)-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-4-(ethylamino)-3,5-difluorobenzamide
PubChem CID63185045
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC NameN-cyclopentyl-N-ethyl-4-(ethylamino)-3,5-difluorobenzamide
SMILESCCNc1c(F)cc(C(=O)N(CC)C2CCCC2)cc1F
InChIInChI=1S/C16H22F2N2O/c1-3-19-15-13(17)9-11(10-14(15)18)16(21)20(4-2)12-7-5-6-8-12/h9-10,12,19H,3-8H2,1-2H3
InChIKeyBDYHVQCNMSDBRT-UHFFFAOYSA-N
XLogP3.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-4-(ethylamino)-3,5-difluorobenzamide?
The IUPAC name of N-cyclopentyl-N-ethyl-4-(ethylamino)-3,5-difluorobenzamide (CID 63185045) is N-cyclopentyl-N-ethyl-4-(ethylamino)-3,5-difluorobenzamide.
What is the SMILES notation for N-cyclopentyl-N-ethyl-4-(ethylamino)-3,5-difluorobenzamide?
The canonical SMILES for N-cyclopentyl-N-ethyl-4-(ethylamino)-3,5-difluorobenzamide is CCNc1c(F)cc(C(=O)N(CC)C2CCCC2)cc1F.
What is the InChIKey of N-cyclopentyl-N-ethyl-4-(ethylamino)-3,5-difluorobenzamide?
The InChIKey is BDYHVQCNMSDBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-3-19-15-13(17)9-11(10-14(15)18)16(21)20(4-2)12-7-5-6-8-12/h9-10,12,19H,3-8H2,1-2H3.
What are the key properties of N-cyclopentyl-N-ethyl-4-(ethylamino)-3,5-difluorobenzamide?
N-cyclopentyl-N-ethyl-4-(ethylamino)-3,5-difluorobenzamide has a molecular weight of 296.36 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-4-(ethylamino)-3,5-difluorobenzamide is sourced from PubChem (CID 63185045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).