N-(2-amino-2-oxoethyl)-N-ethyl-2,3-difluorobenzamide

C11H12F2N2O2 — CID 103101747

IUPACN-(2-amino-2-oxoethyl)-N-ethyl-2,3-difluorobenzamide
SMILESCCN(CC(N)=O)C(=O)c1cccc(F)c1F
InChIInChI=1S/C11H12F2N2O2/c1-2-15(6-9(14)16)11(17)7-4-3-5-8(12)10(7)13/h3-5H,2,6H2,1H3,(H2,14,16)
InChIKeyFJRBSUMJQHIUQP-UHFFFAOYSA-N
MW242.22 g/mol
LogP0.91
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-N-ethyl-2,3-difluorobenzamide

N-(2-amino-2-oxoethyl)-N-ethyl-2,3-difluorobenzamide (PubChem CID 103101747) has the molecular formula C11H12F2N2O2 and a molecular weight of 242.22 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-ethyl-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-ethyl-2,3-difluorobenzamide
PubChem CID103101747
Molecular FormulaC11H12F2N2O2
Molecular Weight242.22 g/mol
Exact Mass242.09
IUPAC NameN-(2-amino-2-oxoethyl)-N-ethyl-2,3-difluorobenzamide
SMILESCCN(CC(N)=O)C(=O)c1cccc(F)c1F
InChIInChI=1S/C11H12F2N2O2/c1-2-15(6-9(14)16)11(17)7-4-3-5-8(12)10(7)13/h3-5H,2,6H2,1H3,(H2,14,16)
InChIKeyFJRBSUMJQHIUQP-UHFFFAOYSA-N
XLogP0.91
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2,3-difluoro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 55100293
N-(2-aminoethyl)-2,3-difluoro-N-propylbenzamide
CID 62649951
3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbenzamide
CID 103100884
N-(2-amino-2-oxoethyl)-2-bromo-N-ethylbenzamide
CID 103102660
N-(2-amino-2-sulfanylideneethyl)-2-chloro-N-ethyl-3-fluorobenzamide
CID 81454050
N,N-diethyl-2-fluoro-3-methylbenzamide
CID 80718588
2-[ethyl-(3-fluoro-2-methylbenzoyl)amino]acetic acid
CID 122107483
2-[(3-chloro-2-fluorobenzoyl)-ethylamino]acetic acid
CID 81267588
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-3-methylbenzamide
CID 80710544
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-difluorobenzamide
CID 62649246
N-(2-amino-2-oxoethyl)-N-ethyl-4-fluorobenzamide
CID 103101753
3-chloro-N,N-diethyl-2-fluorobenzamide
CID 80949009

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-ethyl-2,3-difluorobenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-ethyl-2,3-difluorobenzamide (CID 103101747) is N-(2-amino-2-oxoethyl)-N-ethyl-2,3-difluorobenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-ethyl-2,3-difluorobenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-ethyl-2,3-difluorobenzamide is CCN(CC(N)=O)C(=O)c1cccc(F)c1F.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-ethyl-2,3-difluorobenzamide?
The InChIKey is FJRBSUMJQHIUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O2/c1-2-15(6-9(14)16)11(17)7-4-3-5-8(12)10(7)13/h3-5H,2,6H2,1H3,(H2,14,16).
What are the key properties of N-(2-amino-2-oxoethyl)-N-ethyl-2,3-difluorobenzamide?
N-(2-amino-2-oxoethyl)-N-ethyl-2,3-difluorobenzamide has a molecular weight of 242.22 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-ethyl-2,3-difluorobenzamide is sourced from PubChem (CID 103101747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).