4-bromo-3,5-dimethoxy-N-[3-(methylcarbamoyl)phenyl]benzamide

C17H17BrN2O4 — CID 37007263

IUPAC4-bromo-3,5-dimethoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1cccc(NC(=O)c2cc(OC)c(Br)c(OC)c2)c1
InChIInChI=1S/C17H17BrN2O4/c1-19-16(21)10-5-4-6-12(7-10)20-17(22)11-8-13(23-2)15(18)14(9-11)24-3/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyBWTYAFFCKDAMNK-UHFFFAOYSA-N
MW393.24 g/mol
LogP3.08
Rot. Bonds5

About 4-bromo-3,5-dimethoxy-N-[3-(methylcarbamoyl)phenyl]benzamide

4-bromo-3,5-dimethoxy-N-[3-(methylcarbamoyl)phenyl]benzamide (PubChem CID 37007263) has the molecular formula C17H17BrN2O4 and a molecular weight of 393.24 g/mol. Its IUPAC name is 4-bromo-3,5-dimethoxy-N-[3-(methylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-3,5-dimethoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
PubChem CID37007263
Molecular FormulaC17H17BrN2O4
Molecular Weight393.24 g/mol
Exact Mass392.04
IUPAC Name4-bromo-3,5-dimethoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1cccc(NC(=O)c2cc(OC)c(Br)c(OC)c2)c1
InChIInChI=1S/C17H17BrN2O4/c1-19-16(21)10-5-4-6-12(7-10)20-17(22)11-8-13(23-2)15(18)14(9-11)24-3/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyBWTYAFFCKDAMNK-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(3-bromophenyl)-3,5-dimethoxybenzamide
CID 26687629
4-bromo-3,5-dimethoxy-N-methylbenzamide
CID 47122657
2,4,5-trimethoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17403518
4-bromo-N-(3-cyanophenyl)-3,5-dimethoxybenzamide
CID 9083182
3-chloro-4-ethoxy-5-methoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17470046
4-bromo-3,5-dimethoxy-N-pyridin-3-ylbenzamide
CID 27165075
1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 58018070
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 52644751
3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 79421204
3-(methoxymethyl)-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17471157
3-bromo-4-fluoro-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 103710619

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethoxy-N-[3-(methylcarbamoyl)phenyl]benzamide?
The IUPAC name of 4-bromo-3,5-dimethoxy-N-[3-(methylcarbamoyl)phenyl]benzamide (CID 37007263) is 4-bromo-3,5-dimethoxy-N-[3-(methylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-3,5-dimethoxy-N-[3-(methylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 4-bromo-3,5-dimethoxy-N-[3-(methylcarbamoyl)phenyl]benzamide is CNC(=O)c1cccc(NC(=O)c2cc(OC)c(Br)c(OC)c2)c1.
What is the InChIKey of 4-bromo-3,5-dimethoxy-N-[3-(methylcarbamoyl)phenyl]benzamide?
The InChIKey is BWTYAFFCKDAMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O4/c1-19-16(21)10-5-4-6-12(7-10)20-17(22)11-8-13(23-2)15(18)14(9-11)24-3/h4-9H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 4-bromo-3,5-dimethoxy-N-[3-(methylcarbamoyl)phenyl]benzamide?
4-bromo-3,5-dimethoxy-N-[3-(methylcarbamoyl)phenyl]benzamide has a molecular weight of 393.24 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethoxy-N-[3-(methylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 37007263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).