4-fluoro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide

C14H19FN2O2 — CID 17426344

IUPAC4-fluoro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
SMILESCC(C)CCNC(=O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O2/c1-10(2)7-8-16-13(18)9-17-14(19)11-3-5-12(15)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyZHLDXDUTJCOQHV-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.72
Rot. Bonds6

About 4-fluoro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide

4-fluoro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide (PubChem CID 17426344) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-fluoro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
PubChem CID17426344
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name4-fluoro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
SMILESCC(C)CCNC(=O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O2/c1-10(2)7-8-16-13(18)9-17-14(19)11-3-5-12(15)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyZHLDXDUTJCOQHV-UHFFFAOYSA-N
XLogP1.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 27556673
3-bromo-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 51162907
3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide
CID 56919846
N-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 40789873
4-(difluoromethoxy)-3-methoxy-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 35515205
4-iodo-N-(3-methylbutyl)benzamide
CID 2232834
4-fluoro-N-[2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55947281
4-fluoro-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 27548793
N-[2-(2,2-diphenylethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 26795770
4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 26850940
N-[2-(4-hydroxypentylamino)-2-oxoethyl]-4-methylbenzamide
CID 107300460
N-(2-tert-butyl-5-methylhexyl)-4-fluorobenzamide
CID 123280491

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide (CID 17426344) is 4-fluoro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide is CC(C)CCNC(=O)CNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide?
The InChIKey is ZHLDXDUTJCOQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-10(2)7-8-16-13(18)9-17-14(19)11-3-5-12(15)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 4-fluoro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide?
4-fluoro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide has a molecular weight of 266.32 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 17426344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).