3-(N-acetyl-4-methoxyanilino)-N-(3-bromophenyl)propanamide

C18H19BrN2O3 — CID 113129189

IUPAC3-(N-acetyl-4-methoxyanilino)-N-(3-bromophenyl)propanamide
SMILESCOc1ccc(N(CCC(=O)Nc2cccc(Br)c2)C(C)=O)cc1
InChIInChI=1S/C18H19BrN2O3/c1-13(22)21(16-6-8-17(24-2)9-7-16)11-10-18(23)20-15-5-3-4-14(19)12-15/h3-9,12H,10-11H2,1-2H3,(H,20,23)
InChIKeyIITFAUICVSNXJP-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.84
Rot. Bonds6

About 3-(N-acetyl-4-methoxyanilino)-N-(3-bromophenyl)propanamide

3-(N-acetyl-4-methoxyanilino)-N-(3-bromophenyl)propanamide (PubChem CID 113129189) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 3-(N-acetyl-4-methoxyanilino)-N-(3-bromophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-methoxyanilino)-N-(3-bromophenyl)propanamide
PubChem CID113129189
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name3-(N-acetyl-4-methoxyanilino)-N-(3-bromophenyl)propanamide
SMILESCOc1ccc(N(CCC(=O)Nc2cccc(Br)c2)C(C)=O)cc1
InChIInChI=1S/C18H19BrN2O3/c1-13(22)21(16-6-8-17(24-2)9-7-16)11-10-18(23)20-15-5-3-4-14(19)12-15/h3-9,12H,10-11H2,1-2H3,(H,20,23)
InChIKeyIITFAUICVSNXJP-UHFFFAOYSA-N
XLogP3.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[3-(N-acetyl-4-methoxyanilino)propanoylamino]benzoate
CID 113129180
3-(3-acetamido-N-acetylanilino)-N-(4-methoxyphenyl)propanamide
CID 113131035
3-(N-acetyl-4-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 113129151
3-(N-acetyl-3-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 113123854
3-(N-acetyl-3-chloroanilino)-N-(4-methoxyphenyl)propanamide
CID 113127294
N-(3-bromophenyl)-4-(4-methoxyphenyl)butanamide
CID 838500
N-(3-acetamidophenyl)-3-(N,4-diacetylanilino)propanamide
CID 113130904
N-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 1082278
N-(3-bromophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide
CID 41086503
ethyl 4-[acetyl-[3-(4-methoxyanilino)-3-oxopropyl]amino]benzoate
CID 113133372
3-(3-acetamido-N-acetylanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113131042
3-(N-acetyl-4-methoxyanilino)-N-(2-methoxyethyl)propanamide
CID 113129054

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-methoxyanilino)-N-(3-bromophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-methoxyanilino)-N-(3-bromophenyl)propanamide (CID 113129189) is 3-(N-acetyl-4-methoxyanilino)-N-(3-bromophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-methoxyanilino)-N-(3-bromophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-methoxyanilino)-N-(3-bromophenyl)propanamide is COc1ccc(N(CCC(=O)Nc2cccc(Br)c2)C(C)=O)cc1.
What is the InChIKey of 3-(N-acetyl-4-methoxyanilino)-N-(3-bromophenyl)propanamide?
The InChIKey is IITFAUICVSNXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-13(22)21(16-6-8-17(24-2)9-7-16)11-10-18(23)20-15-5-3-4-14(19)12-15/h3-9,12H,10-11H2,1-2H3,(H,20,23).
What are the key properties of 3-(N-acetyl-4-methoxyanilino)-N-(3-bromophenyl)propanamide?
3-(N-acetyl-4-methoxyanilino)-N-(3-bromophenyl)propanamide has a molecular weight of 391.27 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-methoxyanilino)-N-(3-bromophenyl)propanamide is sourced from PubChem (CID 113129189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).