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

C12H14F2N2O2 — CID 55100293

IUPACN-ethyl-2,3-difluoro-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCCN(CC(=O)NC)C(=O)c1cccc(F)c1F
InChIInChI=1S/C12H14F2N2O2/c1-3-16(7-10(17)15-2)12(18)8-5-4-6-9(13)11(8)14/h4-6H,3,7H2,1-2H3,(H,15,17)
InChIKeyUUKCYAPPMMTLQG-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.17
Rot. Bonds4

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

N-ethyl-2,3-difluoro-N-[2-(methylamino)-2-oxoethyl]benzamide (PubChem CID 55100293) has the molecular formula C12H14F2N2O2 and a molecular weight of 256.25 g/mol. Its IUPAC name is N-ethyl-2,3-difluoro-N-[2-(methylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-ethyl-2,3-difluoro-N-[2-(methylamino)-2-oxoethyl]benzamide
PubChem CID55100293
Molecular FormulaC12H14F2N2O2
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC NameN-ethyl-2,3-difluoro-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCCN(CC(=O)NC)C(=O)c1cccc(F)c1F
InChIInChI=1S/C12H14F2N2O2/c1-3-16(7-10(17)15-2)12(18)8-5-4-6-9(13)11(8)14/h4-6H,3,7H2,1-2H3,(H,15,17)
InChIKeyUUKCYAPPMMTLQG-UHFFFAOYSA-N
XLogP1.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-oxoethyl)-N-ethyl-2,3-difluorobenzamide
CID 103101747
2-fluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 61046623
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-3-methylbenzamide
CID 80710544
N,N-diethyl-2-fluoro-3-methylbenzamide
CID 80718588
N-ethyl-2-(ethylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 55177278
N-ethyl-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide
CID 103799970
3-bromo-N-ethyl-2-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 106544231
2-[ethyl-(3-fluoro-2-methylbenzoyl)amino]acetic acid
CID 122107483
N-(2-aminoethyl)-2,3-difluoro-N-propylbenzamide
CID 62649951
2-[(3-chloro-2-fluorobenzoyl)-ethylamino]acetic acid
CID 81267588
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-difluorobenzamide
CID 62649246
3-chloro-N,N-diethyl-2-fluorobenzamide
CID 80949009

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-difluoro-N-[2-(methylamino)-2-oxoethyl]benzamide?
The IUPAC name of N-ethyl-2,3-difluoro-N-[2-(methylamino)-2-oxoethyl]benzamide (CID 55100293) is N-ethyl-2,3-difluoro-N-[2-(methylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-ethyl-2,3-difluoro-N-[2-(methylamino)-2-oxoethyl]benzamide?
The canonical SMILES for N-ethyl-2,3-difluoro-N-[2-(methylamino)-2-oxoethyl]benzamide is CCN(CC(=O)NC)C(=O)c1cccc(F)c1F.
What is the InChIKey of N-ethyl-2,3-difluoro-N-[2-(methylamino)-2-oxoethyl]benzamide?
The InChIKey is UUKCYAPPMMTLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2/c1-3-16(7-10(17)15-2)12(18)8-5-4-6-9(13)11(8)14/h4-6H,3,7H2,1-2H3,(H,15,17).
What are the key properties of N-ethyl-2,3-difluoro-N-[2-(methylamino)-2-oxoethyl]benzamide?
N-ethyl-2,3-difluoro-N-[2-(methylamino)-2-oxoethyl]benzamide has a molecular weight of 256.25 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-difluoro-N-[2-(methylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 55100293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).