2-(4-bromoanilino)-N-(3,4-diethoxyphenyl)acetamide

C18H21BrN2O3 — CID 9080322

IUPAC2-(4-bromoanilino)-N-(3,4-diethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CNc2ccc(Br)cc2)cc1OCC
InChIInChI=1S/C18H21BrN2O3/c1-3-23-16-10-9-15(11-17(16)24-4-2)21-18(22)12-20-14-7-5-13(19)6-8-14/h5-11,20H,3-4,12H2,1-2H3,(H,21,22)
InChIKeyLRRYISWPBNFCAU-UHFFFAOYSA-N
MW393.28 g/mol
LogP4.30
Rot. Bonds8

About 2-(4-bromoanilino)-N-(3,4-diethoxyphenyl)acetamide

2-(4-bromoanilino)-N-(3,4-diethoxyphenyl)acetamide (PubChem CID 9080322) has the molecular formula C18H21BrN2O3 and a molecular weight of 393.28 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-(3,4-diethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-(3,4-diethoxyphenyl)acetamide
PubChem CID9080322
Molecular FormulaC18H21BrN2O3
Molecular Weight393.28 g/mol
Exact Mass392.07
IUPAC Name2-(4-bromoanilino)-N-(3,4-diethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CNc2ccc(Br)cc2)cc1OCC
InChIInChI=1S/C18H21BrN2O3/c1-3-23-16-10-9-15(11-17(16)24-4-2)21-18(22)12-20-14-7-5-13(19)6-8-14/h5-11,20H,3-4,12H2,1-2H3,(H,21,22)
InChIKeyLRRYISWPBNFCAU-UHFFFAOYSA-N
XLogP4.30
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-diethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362391
N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide
CID 2452186
2-(4-bromoanilino)-N-(2-ethoxyphenyl)acetamide
CID 7535577
4-bromo-N-[2-(4-ethoxy-3-methoxyanilino)-2-oxoethyl]benzamide
CID 9102895
2-(4-bromophenyl)sulfanyl-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 9102401
N-(3,4-dimethoxyphenyl)-2-(4-ethoxyanilino)acetamide
CID 109009183
N-(3,4-diethoxyphenyl)-2-sulfanylacetamide
CID 60650095
2-anilino-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 60927630
N-tert-butyl-2-(3,4-diethoxyanilino)acetamide
CID 28576637
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
2-(4-bromoanilino)-N-(3-bromo-4-methylphenyl)acetamide
CID 109008915
[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium
CID 2452185

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-(3,4-diethoxyphenyl)acetamide?
The IUPAC name of 2-(4-bromoanilino)-N-(3,4-diethoxyphenyl)acetamide (CID 9080322) is 2-(4-bromoanilino)-N-(3,4-diethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-(3,4-diethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromoanilino)-N-(3,4-diethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CNc2ccc(Br)cc2)cc1OCC.
What is the InChIKey of 2-(4-bromoanilino)-N-(3,4-diethoxyphenyl)acetamide?
The InChIKey is LRRYISWPBNFCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3/c1-3-23-16-10-9-15(11-17(16)24-4-2)21-18(22)12-20-14-7-5-13(19)6-8-14/h5-11,20H,3-4,12H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-bromoanilino)-N-(3,4-diethoxyphenyl)acetamide?
2-(4-bromoanilino)-N-(3,4-diethoxyphenyl)acetamide has a molecular weight of 393.28 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N-(3,4-diethoxyphenyl)acetamide is sourced from PubChem (CID 9080322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).