4-[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]amino]benzamide

C19H21BrN2O4 — CID 27667129

IUPAC4-[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]amino]benzamide
SMILESCCOc1cc(Br)c(CC(=O)Nc2ccc(C(N)=O)cc2)cc1OCC
InChIInChI=1S/C19H21BrN2O4/c1-3-25-16-9-13(15(20)11-17(16)26-4-2)10-18(23)22-14-7-5-12(6-8-14)19(21)24/h5-9,11H,3-4,10H2,1-2H3,(H2,21,24)(H,22,23)
InChIKeySRAOKQUWTGPPTI-UHFFFAOYSA-N
MW421.29 g/mol
LogP3.53
Rot. Bonds8

About 4-[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]amino]benzamide

4-[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]amino]benzamide (PubChem CID 27667129) has the molecular formula C19H21BrN2O4 and a molecular weight of 421.29 g/mol. Its IUPAC name is 4-[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]amino]benzamide
PubChem CID27667129
Molecular FormulaC19H21BrN2O4
Molecular Weight421.29 g/mol
Exact Mass420.07
IUPAC Name4-[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]amino]benzamide
SMILESCCOc1cc(Br)c(CC(=O)Nc2ccc(C(N)=O)cc2)cc1OCC
InChIInChI=1S/C19H21BrN2O4/c1-3-25-16-9-13(15(20)11-17(16)26-4-2)10-18(23)22-14-7-5-12(6-8-14)19(21)24/h5-9,11H,3-4,10H2,1-2H3,(H2,21,24)(H,22,23)
InChIKeySRAOKQUWTGPPTI-UHFFFAOYSA-N
XLogP3.53
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.29
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 27648826
2-(2-bromo-4,5-diethoxyphenyl)-N-(3-methylphenyl)acetamide
CID 9039211
N'-[2-(2-bromo-4,5-diethoxyphenyl)acetyl]-3,4-dimethoxybenzohydrazide
CID 35934164
methyl 4-[[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]amino]methyl]benzoate
CID 55386442
N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 24673330
2-(2-bromo-4,5-diethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 16563035
N-(2-amino-2-methylpropyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 119626386
2-(2-bromo-4,5-diethoxyphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 9192636
2-(2-bromo-4,5-diethoxyphenyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 31013760
N-[4-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]phenyl]-2-methylpropanamide
CID 66544844
4-[[(2-bromo-4,5-diethoxyphenyl)methylamino]methyl]benzoic acid
CID 66533958
2-(2-bromo-4,5-diethoxyphenyl)-N-quinolin-8-ylacetamide
CID 27676108

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]amino]benzamide?
The IUPAC name of 4-[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]amino]benzamide (CID 27667129) is 4-[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]amino]benzamide is CCOc1cc(Br)c(CC(=O)Nc2ccc(C(N)=O)cc2)cc1OCC.
What is the InChIKey of 4-[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]amino]benzamide?
The InChIKey is SRAOKQUWTGPPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O4/c1-3-25-16-9-13(15(20)11-17(16)26-4-2)10-18(23)22-14-7-5-12(6-8-14)19(21)24/h5-9,11H,3-4,10H2,1-2H3,(H2,21,24)(H,22,23).
What are the key properties of 4-[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]amino]benzamide?
4-[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]amino]benzamide has a molecular weight of 421.29 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]amino]benzamide is sourced from PubChem (CID 27667129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).