3-bromo-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide

C15H21BrN2O3 — CID 60776178

IUPAC3-bromo-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
SMILESCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C15H21BrN2O3/c1-9(2)7-12(15(20)17-3)18-14(19)10-5-6-13(21-4)11(16)8-10/h5-6,8-9,12H,7H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyBYOBDQVOPWGOQZ-UHFFFAOYSA-N
MW357.25 g/mol
LogP2.35
Rot. Bonds6

About 3-bromo-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide

3-bromo-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide (PubChem CID 60776178) has the molecular formula C15H21BrN2O3 and a molecular weight of 357.25 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
PubChem CID60776178
Molecular FormulaC15H21BrN2O3
Molecular Weight357.25 g/mol
Exact Mass356.07
IUPAC Name3-bromo-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
SMILESCNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C15H21BrN2O3/c1-9(2)7-12(15(20)17-3)18-14(19)10-5-6-13(21-4)11(16)8-10/h5-6,8-9,12H,7H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyBYOBDQVOPWGOQZ-UHFFFAOYSA-N
XLogP2.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(3-bromo-4-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 78975418
3-bromo-4-chloro-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 103841687
methyl 2-[(3-bromo-4-methoxybenzoyl)amino]-3-hydroxypropanoate
CID 43407222
3-bromo-N-(1-chloropropan-2-yl)-4-methoxybenzamide
CID 114299525
methyl (2S)-2-[(3-bromo-4-methoxybenzoyl)amino]propanoate
CID 47337375
(2R)-2-[(3-bromo-4-methoxybenzoyl)amino]-4-hydroxybutanoic acid
CID 114005012
(2S)-2-[(3-bromo-4-methoxybenzoyl)amino]-4-hydroxybutanoic acid
CID 114004862
3-bromo-N-(3-ethylpentan-2-yl)-4-methoxybenzamide
CID 63837987
2-[(3-bromo-4-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 43241906
2-[(3-bromo-4-methoxybenzoyl)amino]-5-methoxypentanoic acid
CID 81085672
3-bromo-N-but-3-yn-2-yl-4-methoxybenzamide
CID 114389789
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 55841887

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide (CID 60776178) is 3-bromo-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide is CNC(=O)C(CC(C)C)NC(=O)c1ccc(OC)c(Br)c1.
What is the InChIKey of 3-bromo-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide?
The InChIKey is BYOBDQVOPWGOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3/c1-9(2)7-12(15(20)17-3)18-14(19)10-5-6-13(21-4)11(16)8-10/h5-6,8-9,12H,7H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 3-bromo-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide?
3-bromo-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide has a molecular weight of 357.25 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 60776178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).