3-bromo-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide

C14H19BrN2O2 — CID 51162907

IUPAC3-bromo-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
SMILESCC(C)CCNC(=O)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-10(2)6-7-16-13(18)9-17-14(19)11-4-3-5-12(15)8-11/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyWMEHWDOEIYIBCN-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.34
Rot. Bonds6

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

3-bromo-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide (PubChem CID 51162907) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 3-bromo-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
PubChem CID51162907
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name3-bromo-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
SMILESCC(C)CCNC(=O)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-10(2)6-7-16-13(18)9-17-14(19)11-4-3-5-12(15)8-11/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyWMEHWDOEIYIBCN-UHFFFAOYSA-N
XLogP2.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]benzamide;hydrochloride
CID 119505849
3-bromo-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 41387812
3-bromo-N-[2-(butan-2-ylamino)-2-oxoethyl]benzamide
CID 46521709
N-[2-(3-aminopropylamino)-2-oxoethyl]-3-bromobenzamide
CID 119405892
3-bromo-N-[2-(2-ethylbutylamino)-2-oxoethyl]benzamide
CID 115613542
3-bromo-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 120831532
3-bromo-N-[2-oxo-2-[2-(4-propan-2-ylphenoxy)ethylamino]ethyl]benzamide
CID 60515632
3,4-dichloro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 27556673
3-bromo-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104981787
3-N-(4-bromophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109056207
4-fluoro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 17426344
2-(4-bromophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide
CID 112995172

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide (CID 51162907) is 3-bromo-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide is CC(C)CCNC(=O)CNC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide?
The InChIKey is WMEHWDOEIYIBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-10(2)6-7-16-13(18)9-17-14(19)11-4-3-5-12(15)8-11/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 3-bromo-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide?
3-bromo-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide has a molecular weight of 327.22 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 51162907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).