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

C16H17BrN2O3 — CID 9080374

IUPAC2-(3-bromoanilino)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2cccc(Br)c2)cc1OC
InChIInChI=1S/C16H17BrN2O3/c1-21-14-7-6-13(9-15(14)22-2)19-16(20)10-18-12-5-3-4-11(17)8-12/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyIIZLYRPWBZZRLO-UHFFFAOYSA-N
MW365.23 g/mol
LogP3.52
Rot. Bonds6

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

2-(3-bromoanilino)-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 9080374) has the molecular formula C16H17BrN2O3 and a molecular weight of 365.23 g/mol. Its IUPAC name is 2-(3-bromoanilino)-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-bromoanilino)-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID9080374
Molecular FormulaC16H17BrN2O3
Molecular Weight365.23 g/mol
Exact Mass364.04
IUPAC Name2-(3-bromoanilino)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2cccc(Br)c2)cc1OC
InChIInChI=1S/C16H17BrN2O3/c1-21-14-7-6-13(9-15(14)22-2)19-16(20)10-18-12-5-3-4-11(17)8-12/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyIIZLYRPWBZZRLO-UHFFFAOYSA-N
XLogP3.52
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009580
2-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9099482
2-(4-bromoanilino)-N-(3-bromophenyl)acetamide
CID 7492464
methyl 4-[[2-(3-bromoanilino)acetyl]amino]benzoate
CID 603629
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
N-(4-bromo-3-methoxyphenyl)-2-(3-methoxyanilino)acetamide
CID 90177361
N-(2-bromophenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009599
N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009628
2-(3,4-dichloroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9098792
4-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 46633398
N-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 9341227
2-(3-bromoanilino)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 42026315

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(3-bromoanilino)-N-(3,4-dimethoxyphenyl)acetamide (CID 9080374) is 2-(3-bromoanilino)-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-bromoanilino)-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(3-bromoanilino)-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CNc2cccc(Br)c2)cc1OC.
What is the InChIKey of 2-(3-bromoanilino)-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is IIZLYRPWBZZRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3/c1-21-14-7-6-13(9-15(14)22-2)19-16(20)10-18-12-5-3-4-11(17)8-12/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of 2-(3-bromoanilino)-N-(3,4-dimethoxyphenyl)acetamide?
2-(3-bromoanilino)-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 365.23 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 9080374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).