N-[1-[butyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide

C17H25FN2O2 — CID 78795819

IUPACN-[1-[butyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
SMILESCCCCN(C)C(=O)C(NC(=O)c1ccc(F)cc1)C(C)C
InChIInChI=1S/C17H25FN2O2/c1-5-6-11-20(4)17(22)15(12(2)3)19-16(21)13-7-9-14(18)10-8-13/h7-10,12,15H,5-6,11H2,1-4H3,(H,19,21)
InChIKeyVMRSDVMINJPOKG-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.84
Rot. Bonds7

About N-[1-[butyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide

N-[1-[butyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide (PubChem CID 78795819) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[1-[butyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[butyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
PubChem CID78795819
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC NameN-[1-[butyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
SMILESCCCCN(C)C(=O)C(NC(=O)c1ccc(F)cc1)C(C)C
InChIInChI=1S/C17H25FN2O2/c1-5-6-11-20(4)17(22)15(12(2)3)19-16(21)13-7-9-14(18)10-8-13/h7-10,12,15H,5-6,11H2,1-4H3,(H,19,21)
InChIKeyVMRSDVMINJPOKG-UHFFFAOYSA-N
XLogP2.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-[butyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-[3-methyl-1-[methyl(propan-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 86920284
4-fluoro-N-[1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55897590
N-[1-[ethyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 78796304
4-fluoro-N-[3-methyl-1-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-1-oxobutan-2-yl]benzamide
CID 42904951
4-fluoro-N-[3-methyl-1-oxo-1-(pentylamino)butan-2-yl]benzamide
CID 4811350
4-fluoro-N-[(2R)-3-methyl-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxobutan-2-yl]benzamide
CID 38735611
4-fluoro-N-[3-methyl-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-1-oxobutan-2-yl]benzamide
CID 86929167
4-methyl-N-[3-methyl-1-[methyl(3-phenylpropyl)amino]-1-oxobutan-2-yl]benzamide
CID 55710345
4-fluoro-N-hexan-2-ylbenzamide
CID 62199480
(2S)-2-[[4-[butyl(methyl)amino]benzoyl]amino]-3-methylbutanoic acid
CID 119359449
3-[[2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoyl]-methylamino]propanoic acid
CID 119233010
4-fluoro-N-[3-methyl-1-[methyl-[(2-nitrophenyl)methyl]amino]-1-oxobutan-2-yl]benzamide
CID 46412991

Frequently Asked Questions

What is the IUPAC name of N-[1-[butyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-[butyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide (CID 78795819) is N-[1-[butyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[butyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[butyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide is CCCCN(C)C(=O)C(NC(=O)c1ccc(F)cc1)C(C)C.
What is the InChIKey of N-[1-[butyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide?
The InChIKey is VMRSDVMINJPOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-5-6-11-20(4)17(22)15(12(2)3)19-16(21)13-7-9-14(18)10-8-13/h7-10,12,15H,5-6,11H2,1-4H3,(H,19,21).
What are the key properties of N-[1-[butyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide?
N-[1-[butyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide has a molecular weight of 308.40 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[butyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 78795819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).