3-bromo-N-(3-ethylpentan-2-yl)-4-methoxybenzamide

C15H22BrNO2 — CID 63837987

IUPAC3-bromo-N-(3-ethylpentan-2-yl)-4-methoxybenzamide
SMILESCCC(CC)C(C)NC(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C15H22BrNO2/c1-5-11(6-2)10(3)17-15(18)12-7-8-14(19-4)13(16)9-12/h7-11H,5-6H2,1-4H3,(H,17,18)
InChIKeyHSCAEHRRMWRWOH-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.01
Rot. Bonds6

About 3-bromo-N-(3-ethylpentan-2-yl)-4-methoxybenzamide

3-bromo-N-(3-ethylpentan-2-yl)-4-methoxybenzamide (PubChem CID 63837987) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 3-bromo-N-(3-ethylpentan-2-yl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(3-ethylpentan-2-yl)-4-methoxybenzamide
PubChem CID63837987
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name3-bromo-N-(3-ethylpentan-2-yl)-4-methoxybenzamide
SMILESCCC(CC)C(C)NC(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C15H22BrNO2/c1-5-11(6-2)10(3)17-15(18)12-7-8-14(19-4)13(16)9-12/h7-11H,5-6H2,1-4H3,(H,17,18)
InChIKeyHSCAEHRRMWRWOH-UHFFFAOYSA-N
XLogP4.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(1-chloropropan-2-yl)-4-methoxybenzamide
CID 114299525
methyl (2S)-2-[(3-bromo-4-methoxybenzoyl)amino]propanoate
CID 47337375
2-[(3-bromo-4-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 43241906
3-bromo-4-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60739360
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
3-bromo-N-but-3-yn-2-yl-4-methoxybenzamide
CID 114389789
4-bromo-N-(3-ethylpentan-2-yl)benzamide
CID 55260581
methyl (2S)-2-[(4-bromo-3-methoxybenzoyl)amino]-3-methylpentanoate
CID 59949573
(2R)-2-[(3-bromo-4-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 78975418
3-bromo-N-[1-(4-bromophenyl)ethyl]-4-methoxybenzamide
CID 60661014
methyl 2-[(3-bromo-4-methoxybenzoyl)amino]-3-hydroxypropanoate
CID 43407222
3-bromo-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 60776178

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-ethylpentan-2-yl)-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-(3-ethylpentan-2-yl)-4-methoxybenzamide (CID 63837987) is 3-bromo-N-(3-ethylpentan-2-yl)-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-(3-ethylpentan-2-yl)-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-(3-ethylpentan-2-yl)-4-methoxybenzamide is CCC(CC)C(C)NC(=O)c1ccc(OC)c(Br)c1.
What is the InChIKey of 3-bromo-N-(3-ethylpentan-2-yl)-4-methoxybenzamide?
The InChIKey is HSCAEHRRMWRWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-5-11(6-2)10(3)17-15(18)12-7-8-14(19-4)13(16)9-12/h7-11H,5-6H2,1-4H3,(H,17,18).
What are the key properties of 3-bromo-N-(3-ethylpentan-2-yl)-4-methoxybenzamide?
3-bromo-N-(3-ethylpentan-2-yl)-4-methoxybenzamide has a molecular weight of 328.25 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-ethylpentan-2-yl)-4-methoxybenzamide is sourced from PubChem (CID 63837987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).