N,N-diethyl-4-(ethylamino)-3,5-difluorobenzamide

C13H18F2N2O — CID 55160588

IUPACN,N-diethyl-4-(ethylamino)-3,5-difluorobenzamide
SMILESCCNc1c(F)cc(C(=O)N(CC)CC)cc1F
InChIInChI=1S/C13H18F2N2O/c1-4-16-12-10(14)7-9(8-11(12)15)13(18)17(5-2)6-3/h7-8,16H,4-6H2,1-3H3
InChIKeyFZCYNMNHOXVKSX-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.88
Rot. Bonds5

About N,N-diethyl-4-(ethylamino)-3,5-difluorobenzamide

N,N-diethyl-4-(ethylamino)-3,5-difluorobenzamide (PubChem CID 55160588) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is N,N-diethyl-4-(ethylamino)-3,5-difluorobenzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(ethylamino)-3,5-difluorobenzamide
PubChem CID55160588
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC NameN,N-diethyl-4-(ethylamino)-3,5-difluorobenzamide
SMILESCCNc1c(F)cc(C(=O)N(CC)CC)cc1F
InChIInChI=1S/C13H18F2N2O/c1-4-16-12-10(14)7-9(8-11(12)15)13(18)17(5-2)6-3/h7-8,16H,4-6H2,1-3H3
InChIKeyFZCYNMNHOXVKSX-UHFFFAOYSA-N
XLogP2.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-(ethylamino)-3,5-difluoro-N-(2-methoxyethyl)benzamide
CID 63185704
4-(ethylamino)-3,5-difluoro-N-methyl-N-propan-2-ylbenzamide
CID 63187051
N-cyclopentyl-N-ethyl-4-(ethylamino)-3,5-difluorobenzamide
CID 63185045
4-(ethylamino)-3,5-difluoro-N-methylbenzamide
CID 63187176
4-(ethylamino)-3,5-difluoro-N',N'-dimethylbenzohydrazide
CID 83025049
N-(3-aminopropyl)-N-ethyl-3,4,5-trifluorobenzamide
CID 63183829
N,N-dibutyl-3,5-difluoro-4-(methylamino)benzamide
CID 63187331
4-(ethylamino)-3,5-difluoro-N-pentan-2-ylbenzamide
CID 63184100
4-(ethylamino)-3,5-difluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 63185971
3,5-difluoro-N-methyl-N-propan-2-yl-4-(propylamino)benzamide
CID 63187095
4-(chloromethyl)-N,N-diethyl-3-fluorobenzamide
CID 155140398
N,N-diethyl-3-fluoro-4-propan-2-ylbenzamide
CID 167035620

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(ethylamino)-3,5-difluorobenzamide?
The IUPAC name of N,N-diethyl-4-(ethylamino)-3,5-difluorobenzamide (CID 55160588) is N,N-diethyl-4-(ethylamino)-3,5-difluorobenzamide.
What is the SMILES notation for N,N-diethyl-4-(ethylamino)-3,5-difluorobenzamide?
The canonical SMILES for N,N-diethyl-4-(ethylamino)-3,5-difluorobenzamide is CCNc1c(F)cc(C(=O)N(CC)CC)cc1F.
What is the InChIKey of N,N-diethyl-4-(ethylamino)-3,5-difluorobenzamide?
The InChIKey is FZCYNMNHOXVKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-4-16-12-10(14)7-9(8-11(12)15)13(18)17(5-2)6-3/h7-8,16H,4-6H2,1-3H3.
What are the key properties of N,N-diethyl-4-(ethylamino)-3,5-difluorobenzamide?
N,N-diethyl-4-(ethylamino)-3,5-difluorobenzamide has a molecular weight of 256.30 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(ethylamino)-3,5-difluorobenzamide is sourced from PubChem (CID 55160588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).