2-[(2-bromophenyl)methoxy]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]benzamide

C25H26BrN3O3 — CID 55797280

IUPAC2-[(2-bromophenyl)methoxy]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]benzamide
SMILESCN(C)CC(=O)Nc1cccc(CNC(=O)c2ccccc2OCc2ccccc2Br)c1
InChIInChI=1S/C25H26BrN3O3/c1-29(2)16-24(30)28-20-10-7-8-18(14-20)15-27-25(31)21-11-4-6-13-23(21)32-17-19-9-3-5-12-22(19)26/h3-14H,15-17H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyDFKALAWVAYIHSX-UHFFFAOYSA-N
MW496.41 g/mol
LogP4.46
Rot. Bonds9

About 2-[(2-bromophenyl)methoxy]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]benzamide

2-[(2-bromophenyl)methoxy]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]benzamide (PubChem CID 55797280) has the molecular formula C25H26BrN3O3 and a molecular weight of 496.41 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methoxy]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-[(2-bromophenyl)methoxy]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]benzamide
PubChem CID55797280
Molecular FormulaC25H26BrN3O3
Molecular Weight496.41 g/mol
Exact Mass495.12
IUPAC Name2-[(2-bromophenyl)methoxy]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]benzamide
SMILESCN(C)CC(=O)Nc1cccc(CNC(=O)c2ccccc2OCc2ccccc2Br)c1
InChIInChI=1S/C25H26BrN3O3/c1-29(2)16-24(30)28-20-10-7-8-18(14-20)15-27-25(31)21-11-4-6-13-23(21)32-17-19-9-3-5-12-22(19)26/h3-14H,15-17H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyDFKALAWVAYIHSX-UHFFFAOYSA-N
XLogP4.46
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.41
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 55797062
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,3-dimethoxybenzamide
CID 55797093
2-[(2-bromophenyl)methoxy]-N-[3-(propanoylamino)phenyl]benzamide
CID 55574442
2-[(2-bromophenyl)methoxy]-N-[(4-fluorophenyl)methyl]benzamide
CID 7935492
N-[3-[[[2-[(2-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 52690342
N-[(3-acetamidophenyl)methyl]-2-(2-phenoxyethoxy)benzamide
CID 39574397
2-chloro-N-[1-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55797348
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]naphthalen-1-yl]methoxy]benzamide
CID 101429178
N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 47064652
N-[(3-carbamoylphenyl)methyl]-2-[(2-chlorophenyl)methoxy]benzamide
CID 32636545
N-[1-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 55869460
N-[3-[[[3-[(2-cyanophenyl)methoxy]phenyl]methylamino]methyl]phenyl]-2-(dimethylamino)acetamide
CID 86903076

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methoxy]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]benzamide?
The IUPAC name of 2-[(2-bromophenyl)methoxy]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]benzamide (CID 55797280) is 2-[(2-bromophenyl)methoxy]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]benzamide.
What is the SMILES notation for 2-[(2-bromophenyl)methoxy]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]benzamide?
The canonical SMILES for 2-[(2-bromophenyl)methoxy]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]benzamide is CN(C)CC(=O)Nc1cccc(CNC(=O)c2ccccc2OCc2ccccc2Br)c1.
What is the InChIKey of 2-[(2-bromophenyl)methoxy]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]benzamide?
The InChIKey is DFKALAWVAYIHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrN3O3/c1-29(2)16-24(30)28-20-10-7-8-18(14-20)15-27-25(31)21-11-4-6-13-23(21)32-17-19-9-3-5-12-22(19)26/h3-14H,15-17H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of 2-[(2-bromophenyl)methoxy]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]benzamide?
2-[(2-bromophenyl)methoxy]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]benzamide has a molecular weight of 496.41 g/mol, XLogP of 4.46, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methoxy]-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]benzamide is sourced from PubChem (CID 55797280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).