3-bromo-N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]benzamide

C23H19BrFN3O3 — CID 55948110

IUPAC3-bromo-N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Br)c1)NCc1cccc(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C23H19BrFN3O3/c24-18-5-2-4-17(12-18)22(30)27-14-21(29)26-13-15-3-1-6-20(11-15)28-23(31)16-7-9-19(25)10-8-16/h1-12H,13-14H2,(H,26,29)(H,27,30)(H,28,31)
InChIKeyVIYMVEFECBMSQQ-UHFFFAOYSA-N
MW484.33 g/mol
LogP3.89
Rot. Bonds7

About 3-bromo-N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]benzamide

3-bromo-N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]benzamide (PubChem CID 55948110) has the molecular formula C23H19BrFN3O3 and a molecular weight of 484.33 g/mol. Its IUPAC name is 3-bromo-N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]benzamide
PubChem CID55948110
Molecular FormulaC23H19BrFN3O3
Molecular Weight484.33 g/mol
Exact Mass483.06
IUPAC Name3-bromo-N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Br)c1)NCc1cccc(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C23H19BrFN3O3/c24-18-5-2-4-17(12-18)22(30)27-14-21(29)26-13-15-3-1-6-20(11-15)28-23(31)16-7-9-19(25)10-8-16/h1-12H,13-14H2,(H,26,29)(H,27,30)(H,28,31)
InChIKeyVIYMVEFECBMSQQ-UHFFFAOYSA-N
XLogP3.89
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.33
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55947983
N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-(propylsulfonylamino)benzamide
CID 55946962
N-[3-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-4-fluorobenzamide
CID 55893896
4-fluoro-N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]benzamide
CID 51121607
3-acetamido-N-[(3-bromophenyl)methyl]benzamide
CID 127116055
3-[(4-fluorobenzoyl)amino]-N-(2-hydroxyethyl)benzamide
CID 110888564
N-[3-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-fluorobenzamide
CID 52702994
3-fluoro-N-[3-[[[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]methyl]phenyl]benzamide
CID 55947223
4-fluoro-N-[3-[(2,2,2-trifluoroethylcarbamoylamino)methyl]phenyl]benzamide
CID 47066077
N-[4-[(3-acetamidophenyl)methylamino]-4-oxobutyl]-4-fluorobenzamide
CID 47070838
4-fluoro-N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]benzamide
CID 55893772
1-N-[(4-fluorophenyl)methyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109054682

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]benzamide (CID 55948110) is 3-bromo-N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1cccc(Br)c1)NCc1cccc(NC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 3-bromo-N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]benzamide?
The InChIKey is VIYMVEFECBMSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrFN3O3/c24-18-5-2-4-17(12-18)22(30)27-14-21(29)26-13-15-3-1-6-20(11-15)28-23(31)16-7-9-19(25)10-8-16/h1-12H,13-14H2,(H,26,29)(H,27,30)(H,28,31).
What are the key properties of 3-bromo-N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]benzamide?
3-bromo-N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]benzamide has a molecular weight of 484.33 g/mol, XLogP of 3.89, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 55948110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).