N-(4-acetamido-3-methylphenyl)-3-(3-bromo-4-methoxyphenyl)propanamide

C19H21BrN2O3 — CID 38016381

IUPACN-(4-acetamido-3-methylphenyl)-3-(3-bromo-4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(NC(C)=O)c(C)c2)cc1Br
InChIInChI=1S/C19H21BrN2O3/c1-12-10-15(6-7-17(12)21-13(2)23)22-19(24)9-5-14-4-8-18(25-3)16(20)11-14/h4,6-8,10-11H,5,9H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyVEPOJWKRUZGABG-UHFFFAOYSA-N
MW405.29 g/mol
LogP4.30
Rot. Bonds6

About N-(4-acetamido-3-methylphenyl)-3-(3-bromo-4-methoxyphenyl)propanamide

N-(4-acetamido-3-methylphenyl)-3-(3-bromo-4-methoxyphenyl)propanamide (PubChem CID 38016381) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is N-(4-acetamido-3-methylphenyl)-3-(3-bromo-4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methylphenyl)-3-(3-bromo-4-methoxyphenyl)propanamide
PubChem CID38016381
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC NameN-(4-acetamido-3-methylphenyl)-3-(3-bromo-4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(NC(C)=O)c(C)c2)cc1Br
InChIInChI=1S/C19H21BrN2O3/c1-12-10-15(6-7-17(12)21-13(2)23)22-19(24)9-5-14-4-8-18(25-3)16(20)11-14/h4,6-8,10-11H,5,9H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyVEPOJWKRUZGABG-UHFFFAOYSA-N
XLogP4.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromo-4-methoxyphenyl)-N-methoxypropanamide
CID 38013362
N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide
CID 51651956
N-(4-bromo-3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28580588
N-(3-acetamido-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 33307641
3-(3-fluoro-4-methoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 46657771
3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9215674
N-[3-[3-(3-bromo-4-methoxyphenyl)propanoylamino]phenyl]thiophene-2-carboxamide
CID 46568166
N-(4-acetamido-3-methylphenyl)-3-aminopropanamide
CID 43698824
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 27781319
3-(3-bromo-4-methoxyphenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]propanamide
CID 34453729
N-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 9341227
3-(3-bromo-4-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 46568198

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methylphenyl)-3-(3-bromo-4-methoxyphenyl)propanamide?
The IUPAC name of N-(4-acetamido-3-methylphenyl)-3-(3-bromo-4-methoxyphenyl)propanamide (CID 38016381) is N-(4-acetamido-3-methylphenyl)-3-(3-bromo-4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(4-acetamido-3-methylphenyl)-3-(3-bromo-4-methoxyphenyl)propanamide?
The canonical SMILES for N-(4-acetamido-3-methylphenyl)-3-(3-bromo-4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2ccc(NC(C)=O)c(C)c2)cc1Br.
What is the InChIKey of N-(4-acetamido-3-methylphenyl)-3-(3-bromo-4-methoxyphenyl)propanamide?
The InChIKey is VEPOJWKRUZGABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-12-10-15(6-7-17(12)21-13(2)23)22-19(24)9-5-14-4-8-18(25-3)16(20)11-14/h4,6-8,10-11H,5,9H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-acetamido-3-methylphenyl)-3-(3-bromo-4-methoxyphenyl)propanamide?
N-(4-acetamido-3-methylphenyl)-3-(3-bromo-4-methoxyphenyl)propanamide has a molecular weight of 405.29 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methylphenyl)-3-(3-bromo-4-methoxyphenyl)propanamide is sourced from PubChem (CID 38016381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).