2-bromo-5-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide

C16H15BrN2O3 — CID 51218207

IUPAC2-bromo-5-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1ccccc1NC(=O)c1cc(OC)ccc1Br
InChIInChI=1S/C16H15BrN2O3/c1-18-15(20)11-5-3-4-6-14(11)19-16(21)12-9-10(22-2)7-8-13(12)17/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyQESSEVQULHXANM-UHFFFAOYSA-N
MW363.21 g/mol
LogP3.07
Rot. Bonds4

About 2-bromo-5-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide

2-bromo-5-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide (PubChem CID 51218207) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
PubChem CID51218207
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC Name2-bromo-5-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1ccccc1NC(=O)c1cc(OC)ccc1Br
InChIInChI=1S/C16H15BrN2O3/c1-18-15(20)11-5-3-4-6-14(11)19-16(21)12-9-10(22-2)7-8-13(12)17/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyQESSEVQULHXANM-UHFFFAOYSA-N
XLogP3.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-bromo-5-methoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide (CID 51218207) is 2-bromo-5-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide is CNC(=O)c1ccccc1NC(=O)c1cc(OC)ccc1Br.
What is the InChIKey of 2-bromo-5-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide?
The InChIKey is QESSEVQULHXANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c1-18-15(20)11-5-3-4-6-14(11)19-16(21)12-9-10(22-2)7-8-13(12)17/h3-9H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-bromo-5-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide?
2-bromo-5-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide has a molecular weight of 363.21 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 51218207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).