4-(ethylamino)-3,5-difluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide

C13H17F2N3O2 — CID 63185971

IUPAC4-(ethylamino)-3,5-difluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
SMILESCCNc1c(F)cc(C(=O)NC(C)C(=O)NC)cc1F
InChIInChI=1S/C13H17F2N3O2/c1-4-17-11-9(14)5-8(6-10(11)15)13(20)18-7(2)12(19)16-3/h5-7,17H,4H2,1-3H3,(H,16,19)(H,18,20)
InChIKeyXPDKFPMOFJOOJT-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.26
Rot. Bonds5

About 4-(ethylamino)-3,5-difluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide

4-(ethylamino)-3,5-difluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 63185971) has the molecular formula C13H17F2N3O2 and a molecular weight of 285.29 g/mol. Its IUPAC name is 4-(ethylamino)-3,5-difluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-(ethylamino)-3,5-difluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
PubChem CID63185971
Molecular FormulaC13H17F2N3O2
Molecular Weight285.29 g/mol
Exact Mass285.13
IUPAC Name4-(ethylamino)-3,5-difluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
SMILESCCNc1c(F)cc(C(=O)NC(C)C(=O)NC)cc1F
InChIInChI=1S/C13H17F2N3O2/c1-4-17-11-9(14)5-8(6-10(11)15)13(20)18-7(2)12(19)16-3/h5-7,17H,4H2,1-3H3,(H,16,19)(H,18,20)
InChIKeyXPDKFPMOFJOOJT-UHFFFAOYSA-N
XLogP1.26
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-3,5-difluoro-N-methylbenzamide
CID 63187176
4-(ethylamino)-3,5-difluoro-N-pentan-2-ylbenzamide
CID 63184100
3-amino-5-fluoro-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 54950307
4-(ethylamino)-3,5-difluoro-N-(1-methoxypropan-2-yl)benzamide
CID 63183722
3,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 103908193
4-amino-3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 62680619
4-(ethylamino)-3,5-difluoro-N',N'-dimethylbenzohydrazide
CID 83025049
4-(ethylamino)-3,5-difluoro-N-(1-thiophen-2-ylethyl)benzamide
CID 63185485
3-bromo-4-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 103706997
4-(ethylamino)-3,5-difluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 63183718
4-(ethylamino)-3,5-difluoro-N-methyl-N-propan-2-ylbenzamide
CID 63187051
ethyl 2-[(3,4,5-trifluorobenzoyl)amino]propanoate
CID 63186715

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-3,5-difluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-(ethylamino)-3,5-difluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide (CID 63185971) is 4-(ethylamino)-3,5-difluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-(ethylamino)-3,5-difluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-(ethylamino)-3,5-difluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide is CCNc1c(F)cc(C(=O)NC(C)C(=O)NC)cc1F.
What is the InChIKey of 4-(ethylamino)-3,5-difluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is XPDKFPMOFJOOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O2/c1-4-17-11-9(14)5-8(6-10(11)15)13(20)18-7(2)12(19)16-3/h5-7,17H,4H2,1-3H3,(H,16,19)(H,18,20).
What are the key properties of 4-(ethylamino)-3,5-difluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
4-(ethylamino)-3,5-difluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 285.29 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-3,5-difluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 63185971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).