N-(4-bromo-3-methylphenyl)-3-methoxy-4-(2-methylpropoxy)benzamide

C19H22BrNO3 — CID 18226846

IUPACN-(4-bromo-3-methylphenyl)-3-methoxy-4-(2-methylpropoxy)benzamide
SMILESCOc1cc(C(=O)Nc2ccc(Br)c(C)c2)ccc1OCC(C)C
InChIInChI=1S/C19H22BrNO3/c1-12(2)11-24-17-8-5-14(10-18(17)23-4)19(22)21-15-6-7-16(20)13(3)9-15/h5-10,12H,11H2,1-4H3,(H,21,22)
InChIKeyAWINQFQLMMTRMP-UHFFFAOYSA-N
MW392.29 g/mol
LogP5.05
Rot. Bonds6

About N-(4-bromo-3-methylphenyl)-3-methoxy-4-(2-methylpropoxy)benzamide

N-(4-bromo-3-methylphenyl)-3-methoxy-4-(2-methylpropoxy)benzamide (PubChem CID 18226846) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3-methoxy-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3-methoxy-4-(2-methylpropoxy)benzamide
PubChem CID18226846
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC NameN-(4-bromo-3-methylphenyl)-3-methoxy-4-(2-methylpropoxy)benzamide
SMILESCOc1cc(C(=O)Nc2ccc(Br)c(C)c2)ccc1OCC(C)C
InChIInChI=1S/C19H22BrNO3/c1-12(2)11-24-17-8-5-14(10-18(17)23-4)19(22)21-15-6-7-16(20)13(3)9-15/h5-10,12H,11H2,1-4H3,(H,21,22)
InChIKeyAWINQFQLMMTRMP-UHFFFAOYSA-N
XLogP5.05
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 ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 3493450
N-(4-bromo-3-methylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 3489384
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
3-bromo-N-(3,5-dimethylphenyl)-4-(2-methylpropoxy)benzamide
CID 17351586
N-[4-(diethylcarbamoyl)phenyl]-3-methoxy-4-(2-methylpropoxy)benzamide
CID 34317168
N-(2,5-dimethylphenyl)-3-methoxy-4-(2-methylpropoxy)benzamide
CID 112759226
N-(4-bromo-3-methylphenyl)-3-(ethoxymethyl)-4-methoxybenzamide
CID 9079006
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 710659
[4-[(3,4-dimethylphenyl)carbamoyl]-2-methoxyphenyl] propanoate
CID 17360234
4-bromo-N-(3-bromo-4-methoxyphenyl)-3-fluorobenzamide
CID 63997805
3-methoxy-N-(4-methylphenyl)-4-propan-2-yloxybenzamide
CID 6457881

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3-methoxy-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3-methoxy-4-(2-methylpropoxy)benzamide (CID 18226846) is N-(4-bromo-3-methylphenyl)-3-methoxy-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3-methoxy-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3-methoxy-4-(2-methylpropoxy)benzamide is COc1cc(C(=O)Nc2ccc(Br)c(C)c2)ccc1OCC(C)C.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3-methoxy-4-(2-methylpropoxy)benzamide?
The InChIKey is AWINQFQLMMTRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-12(2)11-24-17-8-5-14(10-18(17)23-4)19(22)21-15-6-7-16(20)13(3)9-15/h5-10,12H,11H2,1-4H3,(H,21,22).
What are the key properties of N-(4-bromo-3-methylphenyl)-3-methoxy-4-(2-methylpropoxy)benzamide?
N-(4-bromo-3-methylphenyl)-3-methoxy-4-(2-methylpropoxy)benzamide has a molecular weight of 392.29 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3-methoxy-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 18226846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).