3-bromo-5-methoxy-N-(2-methylbutan-2-yl)-4-propoxybenzamide

C16H24BrNO3 — CID 42989597

IUPAC3-bromo-5-methoxy-N-(2-methylbutan-2-yl)-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)NC(C)(C)CC)cc1OC
InChIInChI=1S/C16H24BrNO3/c1-6-8-21-14-12(17)9-11(10-13(14)20-5)15(19)18-16(3,4)7-2/h9-10H,6-8H2,1-5H3,(H,18,19)
InChIKeyWIYXQQRHTFKHLQ-UHFFFAOYSA-N
MW358.28 g/mol
LogP4.16
Rot. Bonds7

About 3-bromo-5-methoxy-N-(2-methylbutan-2-yl)-4-propoxybenzamide

3-bromo-5-methoxy-N-(2-methylbutan-2-yl)-4-propoxybenzamide (PubChem CID 42989597) has the molecular formula C16H24BrNO3 and a molecular weight of 358.28 g/mol. Its IUPAC name is 3-bromo-5-methoxy-N-(2-methylbutan-2-yl)-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-5-methoxy-N-(2-methylbutan-2-yl)-4-propoxybenzamide
PubChem CID42989597
Molecular FormulaC16H24BrNO3
Molecular Weight358.28 g/mol
Exact Mass357.09
IUPAC Name3-bromo-5-methoxy-N-(2-methylbutan-2-yl)-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)NC(C)(C)CC)cc1OC
InChIInChI=1S/C16H24BrNO3/c1-6-8-21-14-12(17)9-11(10-13(14)20-5)15(19)18-16(3,4)7-2/h9-10H,6-8H2,1-5H3,(H,18,19)
InChIKeyWIYXQQRHTFKHLQ-UHFFFAOYSA-N
XLogP4.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-3-bromo-5-methoxy-4-propoxybenzamide
CID 119522830
3-bromo-N,5-dimethoxy-4-propoxybenzamide
CID 51279320
3-bromo-5-methoxy-4-propoxybenzoic acid
CID 2414285
3-bromo-N-(4-tert-butylphenyl)-5-methoxy-4-propoxybenzamide
CID 7913907
3-bromo-N-butyl-5-methoxy-4-propoxybenzamide
CID 18106222
3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
CID 3931758
3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide
CID 5213088
3-bromo-2-methoxy-5-(2-methylbutan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65369014
3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide
CID 5030458
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate
CID 8848079
3-bromo-5-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
CID 40896926
3-bromo-N-[(4-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide
CID 7935461

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-N-(2-methylbutan-2-yl)-4-propoxybenzamide?
The IUPAC name of 3-bromo-5-methoxy-N-(2-methylbutan-2-yl)-4-propoxybenzamide (CID 42989597) is 3-bromo-5-methoxy-N-(2-methylbutan-2-yl)-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-5-methoxy-N-(2-methylbutan-2-yl)-4-propoxybenzamide?
The canonical SMILES for 3-bromo-5-methoxy-N-(2-methylbutan-2-yl)-4-propoxybenzamide is CCCOc1c(Br)cc(C(=O)NC(C)(C)CC)cc1OC.
What is the InChIKey of 3-bromo-5-methoxy-N-(2-methylbutan-2-yl)-4-propoxybenzamide?
The InChIKey is WIYXQQRHTFKHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO3/c1-6-8-21-14-12(17)9-11(10-13(14)20-5)15(19)18-16(3,4)7-2/h9-10H,6-8H2,1-5H3,(H,18,19).
What are the key properties of 3-bromo-5-methoxy-N-(2-methylbutan-2-yl)-4-propoxybenzamide?
3-bromo-5-methoxy-N-(2-methylbutan-2-yl)-4-propoxybenzamide has a molecular weight of 358.28 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-N-(2-methylbutan-2-yl)-4-propoxybenzamide is sourced from PubChem (CID 42989597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).