3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide

C19H22BrNO3 — CID 5030458

IUPAC3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C19H22BrNO3/c1-5-8-24-18-16(20)10-14(11-17(18)23-4)19(22)21-15-7-6-12(2)13(3)9-15/h6-7,9-11H,5,8H2,1-4H3,(H,21,22)
InChIKeyVBGXKPBLMJGQKA-UHFFFAOYSA-N
MW392.29 g/mol
LogP5.12
Rot. Bonds6

About 3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide

3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide (PubChem CID 5030458) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is 3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide
PubChem CID5030458
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC Name3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)Nc2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C19H22BrNO3/c1-5-8-24-18-16(20)10-14(11-17(18)23-4)19(22)21-15-7-6-12(2)13(3)9-15/h6-7,9-11H,5,8H2,1-4H3,(H,21,22)
InChIKeyVBGXKPBLMJGQKA-UHFFFAOYSA-N
XLogP5.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.29
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide
CID 5213088
3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
CID 3931758
3-bromo-N-(4-tert-butylphenyl)-5-methoxy-4-propoxybenzamide
CID 7913907
3-bromo-5-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-4-propoxybenzamide
CID 46466063
3-bromo-5-methoxy-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-propoxybenzamide
CID 24535262
3-bromo-N-[3-(methanesulfonamido)-4-methoxyphenyl]-5-methoxy-4-propoxybenzamide
CID 37065224
N-(6-amino-3-pyridinyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride
CID 119515602
3-bromo-N-(3-cyanophenyl)-5-methoxy-4-propoxybenzamide
CID 2116480
3-bromo-4-ethoxy-N-(4-iodophenyl)-5-methoxybenzamide
CID 3348893
3-bromo-N,5-dimethoxy-4-propoxybenzamide
CID 51279320
3-bromo-5-methoxy-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-4-propoxybenzamide
CID 34258807
3-bromo-N-butyl-5-methoxy-4-propoxybenzamide
CID 18106222

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide?
The IUPAC name of 3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide (CID 5030458) is 3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide?
The canonical SMILES for 3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide is CCCOc1c(Br)cc(C(=O)Nc2ccc(C)c(C)c2)cc1OC.
What is the InChIKey of 3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide?
The InChIKey is VBGXKPBLMJGQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-5-8-24-18-16(20)10-14(11-17(18)23-4)19(22)21-15-7-6-12(2)13(3)9-15/h6-7,9-11H,5,8H2,1-4H3,(H,21,22).
What are the key properties of 3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide?
3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide has a molecular weight of 392.29 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide is sourced from PubChem (CID 5030458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).