N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-3-methylbenzamide

C16H23FN2O2 — CID 80710544

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-3-methylbenzamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1cccc(C)c1F
InChIInChI=1S/C16H23FN2O2/c1-6-19(10-13(20)18-16(3,4)5)15(21)12-9-7-8-11(2)14(12)17/h7-9H,6,10H2,1-5H3,(H,18,20)
InChIKeyJWLXAWRGUAUMDG-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.51
Rot. Bonds4

About N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-3-methylbenzamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-3-methylbenzamide (PubChem CID 80710544) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-3-methylbenzamide
PubChem CID80710544
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-3-methylbenzamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)c1cccc(C)c1F
InChIInChI=1S/C16H23FN2O2/c1-6-19(10-13(20)18-16(3,4)5)15(21)12-9-7-8-11(2)14(12)17/h7-9H,6,10H2,1-5H3,(H,18,20)
InChIKeyJWLXAWRGUAUMDG-UHFFFAOYSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2-fluoro-3-methylbenzamide
CID 80718588
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2,3-dimethoxybenzamide
CID 78789446
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-fluoro-3-methylbenzamide
CID 81477271
N-ethyl-2,3-difluoro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 55100293
methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]benzoate
CID 47044869
N-[2-(tert-butylamino)-2-oxoethyl]-5-(diethylsulfamoyl)-N-ethyl-2-fluorobenzamide
CID 35362085
N-(2-amino-2-oxoethyl)-N-ethyl-2,3-difluorobenzamide
CID 103101747
3-acetamido-N-[2-(tert-butylamino)-2-oxoethyl]-N-ethylbenzamide
CID 51172752
2-[(2-fluoro-3-methylbenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81481850
2-[(3-chloro-2-fluorobenzoyl)-ethylamino]acetic acid
CID 81267588
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-methylpyrrole-2-carboxamide
CID 71944585
N-tert-butyl-2-[ethyl-[(2-fluorophenyl)carbamothioyl]amino]acetamide
CID 8768258

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-3-methylbenzamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-3-methylbenzamide (CID 80710544) is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-3-methylbenzamide is CCN(CC(=O)NC(C)(C)C)C(=O)c1cccc(C)c1F.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-3-methylbenzamide?
The InChIKey is JWLXAWRGUAUMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-6-19(10-13(20)18-16(3,4)5)15(21)12-9-7-8-11(2)14(12)17/h7-9H,6,10H2,1-5H3,(H,18,20).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-3-methylbenzamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-3-methylbenzamide has a molecular weight of 294.37 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 80710544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).