2-[(3-bromophenyl)methoxy]-N-[3-(methylcarbamoyl)phenyl]benzamide

C22H19BrN2O3 — CID 43000565

IUPAC2-[(3-bromophenyl)methoxy]-N-[3-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1cccc(NC(=O)c2ccccc2OCc2cccc(Br)c2)c1
InChIInChI=1S/C22H19BrN2O3/c1-24-21(26)16-7-5-9-18(13-16)25-22(27)19-10-2-3-11-20(19)28-14-15-6-4-8-17(23)12-15/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyGVYINLUJCXYELX-UHFFFAOYSA-N
MW439.31 g/mol
LogP4.64
Rot. Bonds6

About 2-[(3-bromophenyl)methoxy]-N-[3-(methylcarbamoyl)phenyl]benzamide

2-[(3-bromophenyl)methoxy]-N-[3-(methylcarbamoyl)phenyl]benzamide (PubChem CID 43000565) has the molecular formula C22H19BrN2O3 and a molecular weight of 439.31 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methoxy]-N-[3-(methylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methoxy]-N-[3-(methylcarbamoyl)phenyl]benzamide
PubChem CID43000565
Molecular FormulaC22H19BrN2O3
Molecular Weight439.31 g/mol
Exact Mass438.06
IUPAC Name2-[(3-bromophenyl)methoxy]-N-[3-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1cccc(NC(=O)c2ccccc2OCc2cccc(Br)c2)c1
InChIInChI=1S/C22H19BrN2O3/c1-24-21(26)16-7-5-9-18(13-16)25-22(27)19-10-2-3-11-20(19)28-14-15-6-4-8-17(23)12-15/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyGVYINLUJCXYELX-UHFFFAOYSA-N
XLogP4.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methoxy]-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 16550314
2-[(3-bromophenyl)methoxy]-N-(4-fluorophenyl)benzamide
CID 16547793
2-[(3-bromophenyl)methoxy]-N-methoxybenzamide
CID 33104537
2-hexoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17233105
2-[(3-bromophenyl)methoxy]-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 26196212
4-amino-3-[(3-bromophenyl)methoxy]-N-methylbenzamide
CID 82828617
2-[(3-methylphenyl)methoxy]-N-phenylbenzamide
CID 18280998
2-[(3-bromophenyl)methoxy]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 56827840
3-(methoxymethyl)-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17471157
2-ethoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide
CID 1228354
2-[(3-bromophenyl)methoxy]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 24658178
N-[3-(benzylcarbamoyl)phenyl]-2-ethoxybenzamide
CID 28638874

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methoxy]-N-[3-(methylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-[(3-bromophenyl)methoxy]-N-[3-(methylcarbamoyl)phenyl]benzamide (CID 43000565) is 2-[(3-bromophenyl)methoxy]-N-[3-(methylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-[(3-bromophenyl)methoxy]-N-[3-(methylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-[(3-bromophenyl)methoxy]-N-[3-(methylcarbamoyl)phenyl]benzamide is CNC(=O)c1cccc(NC(=O)c2ccccc2OCc2cccc(Br)c2)c1.
What is the InChIKey of 2-[(3-bromophenyl)methoxy]-N-[3-(methylcarbamoyl)phenyl]benzamide?
The InChIKey is GVYINLUJCXYELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O3/c1-24-21(26)16-7-5-9-18(13-16)25-22(27)19-10-2-3-11-20(19)28-14-15-6-4-8-17(23)12-15/h2-13H,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-[(3-bromophenyl)methoxy]-N-[3-(methylcarbamoyl)phenyl]benzamide?
2-[(3-bromophenyl)methoxy]-N-[3-(methylcarbamoyl)phenyl]benzamide has a molecular weight of 439.31 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methoxy]-N-[3-(methylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 43000565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).