3,5-difluoro-4-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide

C11H13F2N3O2 — CID 63184958

IUPAC3,5-difluoro-4-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CNC(=O)c1cc(F)c(NC)c(F)c1
InChIInChI=1S/C11H13F2N3O2/c1-14-9(17)5-16-11(18)6-3-7(12)10(15-2)8(13)4-6/h3-4,15H,5H2,1-2H3,(H,14,17)(H,16,18)
InChIKeyPKWZCSZFYZFNNE-UHFFFAOYSA-N
MW257.24 g/mol
LogP0.48
Rot. Bonds4

About 3,5-difluoro-4-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide

3,5-difluoro-4-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide (PubChem CID 63184958) has the molecular formula C11H13F2N3O2 and a molecular weight of 257.24 g/mol. Its IUPAC name is 3,5-difluoro-4-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-4-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide
PubChem CID63184958
Molecular FormulaC11H13F2N3O2
Molecular Weight257.24 g/mol
Exact Mass257.10
IUPAC Name3,5-difluoro-4-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CNC(=O)c1cc(F)c(NC)c(F)c1
InChIInChI=1S/C11H13F2N3O2/c1-14-9(17)5-16-11(18)6-3-7(12)10(15-2)8(13)4-6/h3-4,15H,5H2,1-2H3,(H,14,17)(H,16,18)
InChIKeyPKWZCSZFYZFNNE-UHFFFAOYSA-N
XLogP0.48
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-difluoro-4-(methylamino)benzamide
CID 63184835
3-amino-5-fluoro-4-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 60861030
3,5-difluoro-4-(methylamino)-N-pentylbenzamide
CID 63183966
3,5-difluoro-4-(methylamino)-N-(2-methylsulfonylethyl)benzamide
CID 63183539
3,5-difluoro-4-hydrazinyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 63185740
N-[(4-chlorophenyl)methyl]-3,5-difluoro-4-(methylamino)benzamide
CID 63183628
3,5-difluoro-4-(methylamino)-N-(3-propoxypropyl)benzamide
CID 82946466
3,4,5-trifluoro-N-(2-oxopropyl)benzamide
CID 64997335
3,5-difluoro-4-[[2-(methylamino)-2-oxoethyl]amino]benzoic acid
CID 63187608
2,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 38004196
3,5-difluoro-4-(methylamino)-N-pentan-3-ylbenzamide
CID 55157890
N-(3-ethylpentan-3-yl)-3,5-difluoro-4-(methylamino)benzamide
CID 65042721

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide?
The IUPAC name of 3,5-difluoro-4-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide (CID 63184958) is 3,5-difluoro-4-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3,5-difluoro-4-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 3,5-difluoro-4-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide is CNC(=O)CNC(=O)c1cc(F)c(NC)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide?
The InChIKey is PKWZCSZFYZFNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O2/c1-14-9(17)5-16-11(18)6-3-7(12)10(15-2)8(13)4-6/h3-4,15H,5H2,1-2H3,(H,14,17)(H,16,18).
What are the key properties of 3,5-difluoro-4-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide?
3,5-difluoro-4-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide has a molecular weight of 257.24 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 63184958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).