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

C23H21BrN2O3 — CID 55574442

IUPAC2-[(2-bromophenyl)methoxy]-N-[3-(propanoylamino)phenyl]benzamide
SMILESCCC(=O)Nc1cccc(NC(=O)c2ccccc2OCc2ccccc2Br)c1
InChIInChI=1S/C23H21BrN2O3/c1-2-22(27)25-17-9-7-10-18(14-17)26-23(28)19-11-4-6-13-21(19)29-15-16-8-3-5-12-20(16)24/h3-14H,2,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyMBVASYFSBXUCCV-UHFFFAOYSA-N
MW453.34 g/mol
LogP5.63
Rot. Bonds7

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

2-[(2-bromophenyl)methoxy]-N-[3-(propanoylamino)phenyl]benzamide (PubChem CID 55574442) has the molecular formula C23H21BrN2O3 and a molecular weight of 453.34 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methoxy]-N-[3-(propanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name2-[(2-bromophenyl)methoxy]-N-[3-(propanoylamino)phenyl]benzamide
PubChem CID55574442
Molecular FormulaC23H21BrN2O3
Molecular Weight453.34 g/mol
Exact Mass452.07
IUPAC Name2-[(2-bromophenyl)methoxy]-N-[3-(propanoylamino)phenyl]benzamide
SMILESCCC(=O)Nc1cccc(NC(=O)c2ccccc2OCc2ccccc2Br)c1
InChIInChI=1S/C23H21BrN2O3/c1-2-22(27)25-17-9-7-10-18(14-17)26-23(28)19-11-4-6-13-21(19)29-15-16-8-3-5-12-20(16)24/h3-14H,2,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyMBVASYFSBXUCCV-UHFFFAOYSA-N
XLogP5.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.34
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide
CID 17188354
2-[(2-bromophenyl)methoxy]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]benzamide
CID 55797280
2-ethoxy-N-[4-(propanoylamino)phenyl]benzamide
CID 17204882
methyl N-[2-[[3-(propanoylamino)phenyl]carbamoyl]phenyl]carbamate
CID 56789409
2-[2-(3-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 2709122
N-[3-(butanoylamino)phenyl]-2-(2-methylpropoxy)benzamide
CID 17187605
2-(2-methylpropoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235611
N-(3-acetamidophenyl)-2-butoxybenzamide
CID 17189815
2-[(2-bromophenyl)methoxy]-N,N-diethylbenzamide
CID 112762956
2-ethoxy-N-(3-methoxyphenyl)benzamide
CID 760215
2-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 38397232
N-(3-acetylphenyl)-2-ethoxybenzamide
CID 773754

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methoxy]-N-[3-(propanoylamino)phenyl]benzamide?
The IUPAC name of 2-[(2-bromophenyl)methoxy]-N-[3-(propanoylamino)phenyl]benzamide (CID 55574442) is 2-[(2-bromophenyl)methoxy]-N-[3-(propanoylamino)phenyl]benzamide.
What is the SMILES notation for 2-[(2-bromophenyl)methoxy]-N-[3-(propanoylamino)phenyl]benzamide?
The canonical SMILES for 2-[(2-bromophenyl)methoxy]-N-[3-(propanoylamino)phenyl]benzamide is CCC(=O)Nc1cccc(NC(=O)c2ccccc2OCc2ccccc2Br)c1.
What is the InChIKey of 2-[(2-bromophenyl)methoxy]-N-[3-(propanoylamino)phenyl]benzamide?
The InChIKey is MBVASYFSBXUCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O3/c1-2-22(27)25-17-9-7-10-18(14-17)26-23(28)19-11-4-6-13-21(19)29-15-16-8-3-5-12-20(16)24/h3-14H,2,15H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 2-[(2-bromophenyl)methoxy]-N-[3-(propanoylamino)phenyl]benzamide?
2-[(2-bromophenyl)methoxy]-N-[3-(propanoylamino)phenyl]benzamide has a molecular weight of 453.34 g/mol, XLogP of 5.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methoxy]-N-[3-(propanoylamino)phenyl]benzamide is sourced from PubChem (CID 55574442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).