5-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoro-3-methylbenzamide

C12H16FN3O2 — CID 103296950

IUPAC5-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoro-3-methylbenzamide
SMILESCCN(CC(N)=O)C(=O)c1cc(N)cc(C)c1F
InChIInChI=1S/C12H16FN3O2/c1-3-16(6-10(15)17)12(18)9-5-8(14)4-7(2)11(9)13/h4-5H,3,6,14H2,1-2H3,(H2,15,17)
InChIKeyDDIDSTUJRNTHOA-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.66
Rot. Bonds4

About 5-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoro-3-methylbenzamide

5-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoro-3-methylbenzamide (PubChem CID 103296950) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is 5-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoro-3-methylbenzamide
PubChem CID103296950
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name5-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoro-3-methylbenzamide
SMILESCCN(CC(N)=O)C(=O)c1cc(N)cc(C)c1F
InChIInChI=1S/C12H16FN3O2/c1-3-16(6-10(15)17)12(18)9-5-8(14)4-7(2)11(9)13/h4-5H,3,6,14H2,1-2H3,(H2,15,17)
InChIKeyDDIDSTUJRNTHOA-UHFFFAOYSA-N
XLogP0.66
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N,N-diethyl-2-fluoro-3-methylbenzamide
CID 103295681
5-amino-N-ethyl-2-fluoro-3-methyl-N-(2-methylbutyl)benzamide
CID 103296632
5-amino-N-benzyl-N-ethyl-2-fluoro-3-methylbenzamide
CID 103295866
5-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluoro-3-methylbenzamide
CID 103296169
5-amino-2-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide
CID 103296803
5-amino-2-fluoro-N-methoxy-N,3-dimethylbenzamide
CID 103295990
N-(2-amino-2-oxoethyl)-N-ethyl-2,3-difluorobenzamide
CID 103101747
5-amino-2-fluoro-N,3-dimethyl-N-pentan-2-ylbenzamide
CID 103295951
5-amino-2-fluoro-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103296108
5-amino-2-fluoro-N,3-dimethyl-N-prop-2-enylbenzamide
CID 103296717
N-(2-amino-2-oxoethyl)-N-ethyl-2,5-difluoro-4-nitrobenzamide
CID 103101728
3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbenzamide
CID 103100884

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoro-3-methylbenzamide?
The IUPAC name of 5-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoro-3-methylbenzamide (CID 103296950) is 5-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoro-3-methylbenzamide.
What is the SMILES notation for 5-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoro-3-methylbenzamide?
The canonical SMILES for 5-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoro-3-methylbenzamide is CCN(CC(N)=O)C(=O)c1cc(N)cc(C)c1F.
What is the InChIKey of 5-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoro-3-methylbenzamide?
The InChIKey is DDIDSTUJRNTHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-3-16(6-10(15)17)12(18)9-5-8(14)4-7(2)11(9)13/h4-5H,3,6,14H2,1-2H3,(H2,15,17).
What are the key properties of 5-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoro-3-methylbenzamide?
5-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoro-3-methylbenzamide has a molecular weight of 253.28 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 103296950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).