N-[2-[butan-2-yl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide

C15H23FN2O — CID 113251010

IUPACN-[2-[butan-2-yl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide
SMILESCCC(C)N(C)CCNC(=O)c1ccc(C)cc1F
InChIInChI=1S/C15H23FN2O/c1-5-12(3)18(4)9-8-17-15(19)13-7-6-11(2)10-14(13)16/h6-7,10,12H,5,8-9H2,1-4H3,(H,17,19)
InChIKeyDQWDOGHNPCYWKG-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.59
Rot. Bonds6

About N-[2-[butan-2-yl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide

N-[2-[butan-2-yl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide (PubChem CID 113251010) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-[2-[butan-2-yl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[butan-2-yl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide
PubChem CID113251010
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-[2-[butan-2-yl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide
SMILESCCC(C)N(C)CCNC(=O)c1ccc(C)cc1F
InChIInChI=1S/C15H23FN2O/c1-5-12(3)18(4)9-8-17-15(19)13-7-6-11(2)10-14(13)16/h6-7,10,12H,5,8-9H2,1-4H3,(H,17,19)
InChIKeyDQWDOGHNPCYWKG-UHFFFAOYSA-N
XLogP2.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-4-fluorobenzamide
CID 95167793
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide
CID 79776956
N-butan-2-yl-2-fluoro-N,4-dimethylbenzamide
CID 79778554
2-hydroxy-4-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62641544
N-[2-[[(2R)-butan-2-yl]-methylamino]ethyl]-3-fluorobenzamide
CID 95167816
2-fluoro-4-methyl-N-pentylbenzamide
CID 79770349
2-fluoro-4-methyl-N-(5-methylhexyl)benzamide
CID 79790982
2-fluoro-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 112696705
N-[2-(diethylamino)ethyl]-2-fluoro-5-methylbenzamide
CID 62509349
N-[2-[butan-2-yl(methyl)amino]ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717923
2-fluoro-4-methyl-N-(2-methylsulfinylethyl)benzamide
CID 115678998
N-butan-2-yl-N-butyl-2-fluoro-4-methylbenzamide
CID 79778285

Frequently Asked Questions

What is the IUPAC name of N-[2-[butan-2-yl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide?
The IUPAC name of N-[2-[butan-2-yl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide (CID 113251010) is N-[2-[butan-2-yl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[2-[butan-2-yl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-[2-[butan-2-yl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide is CCC(C)N(C)CCNC(=O)c1ccc(C)cc1F.
What is the InChIKey of N-[2-[butan-2-yl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide?
The InChIKey is DQWDOGHNPCYWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-5-12(3)18(4)9-8-17-15(19)13-7-6-11(2)10-14(13)16/h6-7,10,12H,5,8-9H2,1-4H3,(H,17,19).
What are the key properties of N-[2-[butan-2-yl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide?
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide has a molecular weight of 266.36 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butan-2-yl(methyl)amino]ethyl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 113251010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).