N-(3-acetamido-4-methoxyphenyl)-2-bromo-5-methoxybenzamide

C17H17BrN2O4 — CID 33309581

IUPACN-(3-acetamido-4-methoxyphenyl)-2-bromo-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2ccc(OC)c(NC(C)=O)c2)c1
InChIInChI=1S/C17H17BrN2O4/c1-10(21)19-15-8-11(4-7-16(15)24-3)20-17(22)13-9-12(23-2)5-6-14(13)18/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyDDZNZIQRRZQTNJ-UHFFFAOYSA-N
MW393.24 g/mol
LogP3.68
Rot. Bonds5

About N-(3-acetamido-4-methoxyphenyl)-2-bromo-5-methoxybenzamide

N-(3-acetamido-4-methoxyphenyl)-2-bromo-5-methoxybenzamide (PubChem CID 33309581) has the molecular formula C17H17BrN2O4 and a molecular weight of 393.24 g/mol. Its IUPAC name is N-(3-acetamido-4-methoxyphenyl)-2-bromo-5-methoxybenzamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methoxyphenyl)-2-bromo-5-methoxybenzamide
PubChem CID33309581
Molecular FormulaC17H17BrN2O4
Molecular Weight393.24 g/mol
Exact Mass392.04
IUPAC NameN-(3-acetamido-4-methoxyphenyl)-2-bromo-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2ccc(OC)c(NC(C)=O)c2)c1
InChIInChI=1S/C17H17BrN2O4/c1-10(21)19-15-8-11(4-7-16(15)24-3)20-17(22)13-9-12(23-2)5-6-14(13)18/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyDDZNZIQRRZQTNJ-UHFFFAOYSA-N
XLogP3.68
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-methoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 26522460
2-bromo-N-(2,5-dimethoxyphenyl)-5-sulfanylbenzamide
CID 107020427
N-(3-bromo-4-fluorophenyl)-2,5-dimethoxybenzamide
CID 115661440
2-bromo-5-methoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 55749089
2-bromo-N-(4-ethoxy-3-fluorophenyl)-5-methoxybenzamide
CID 60538091
2-bromo-N-(3-fluoro-4-hydroxyphenyl)-5-methoxybenzamide
CID 64781077
2-bromo-N-(3-hydroxyphenyl)-5-methoxybenzamide
CID 28739934
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
N-(3-amino-4-ethylphenyl)-2-bromo-5-methoxybenzamide
CID 43550231
2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide
CID 990540
2-bromo-5-methoxy-N-pyrimidin-5-ylbenzamide
CID 104856860
2-bromo-N-[4-(cyclopropanecarbonylamino)phenyl]-5-methoxybenzamide
CID 42470780

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methoxyphenyl)-2-bromo-5-methoxybenzamide?
The IUPAC name of N-(3-acetamido-4-methoxyphenyl)-2-bromo-5-methoxybenzamide (CID 33309581) is N-(3-acetamido-4-methoxyphenyl)-2-bromo-5-methoxybenzamide.
What is the SMILES notation for N-(3-acetamido-4-methoxyphenyl)-2-bromo-5-methoxybenzamide?
The canonical SMILES for N-(3-acetamido-4-methoxyphenyl)-2-bromo-5-methoxybenzamide is COc1ccc(Br)c(C(=O)Nc2ccc(OC)c(NC(C)=O)c2)c1.
What is the InChIKey of N-(3-acetamido-4-methoxyphenyl)-2-bromo-5-methoxybenzamide?
The InChIKey is DDZNZIQRRZQTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O4/c1-10(21)19-15-8-11(4-7-16(15)24-3)20-17(22)13-9-12(23-2)5-6-14(13)18/h4-9H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-(3-acetamido-4-methoxyphenyl)-2-bromo-5-methoxybenzamide?
N-(3-acetamido-4-methoxyphenyl)-2-bromo-5-methoxybenzamide has a molecular weight of 393.24 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methoxyphenyl)-2-bromo-5-methoxybenzamide is sourced from PubChem (CID 33309581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).