2,3-dichloro-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide

C21H15Cl2FN2O2 — CID 55893391

IUPAC2,3-dichloro-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide
SMILESO=C(Nc1cccc(CNC(=O)c2cccc(Cl)c2Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C21H15Cl2FN2O2/c22-18-6-2-5-17(19(18)23)21(28)25-12-13-3-1-4-16(11-13)26-20(27)14-7-9-15(24)10-8-14/h1-11H,12H2,(H,25,28)(H,26,27)
InChIKeyGZEGJWWABVHCRG-UHFFFAOYSA-N
MW417.27 g/mol
LogP5.31
Rot. Bonds5

About 2,3-dichloro-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide

2,3-dichloro-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide (PubChem CID 55893391) has the molecular formula C21H15Cl2FN2O2 and a molecular weight of 417.27 g/mol. Its IUPAC name is 2,3-dichloro-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide
PubChem CID55893391
Molecular FormulaC21H15Cl2FN2O2
Molecular Weight417.27 g/mol
Exact Mass416.05
IUPAC Name2,3-dichloro-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide
SMILESO=C(Nc1cccc(CNC(=O)c2cccc(Cl)c2Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C21H15Cl2FN2O2/c22-18-6-2-5-17(19(18)23)21(28)25-12-13-3-1-4-16(11-13)26-20(27)14-7-9-15(24)10-8-14/h1-11H,12H2,(H,25,28)(H,26,27)
InChIKeyGZEGJWWABVHCRG-UHFFFAOYSA-N
XLogP5.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.27
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dichloro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601974
2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide
CID 17071308
3-(2-chloro-6-fluorophenyl)-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 60535659
2,3-dichloro-N-(3-fluorophenyl)benzamide
CID 802685
4-fluoro-N-[3-[(2,2,2-trifluoroethylcarbamoylamino)methyl]phenyl]benzamide
CID 47066077
N-[3-[[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]methyl]phenyl]-4-fluorobenzamide
CID 55947108
N-[3-[(cyclohex-3-ene-1-carbonylamino)methyl]phenyl]-4-fluorobenzamide
CID 55894282
2,5-dichloro-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]pyridine-4-carboxamide
CID 167909819
N-benzyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 895615
N-[3-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-4-fluorobenzamide
CID 55893896
4-fluoro-N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]benzamide
CID 51121607
N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-(propylsulfonylamino)benzamide
CID 55946962

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide?
The IUPAC name of 2,3-dichloro-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide (CID 55893391) is 2,3-dichloro-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide is O=C(Nc1cccc(CNC(=O)c2cccc(Cl)c2Cl)c1)c1ccc(F)cc1.
What is the InChIKey of 2,3-dichloro-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide?
The InChIKey is GZEGJWWABVHCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2FN2O2/c22-18-6-2-5-17(19(18)23)21(28)25-12-13-3-1-4-16(11-13)26-20(27)14-7-9-15(24)10-8-14/h1-11H,12H2,(H,25,28)(H,26,27).
What are the key properties of 2,3-dichloro-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide?
2,3-dichloro-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide has a molecular weight of 417.27 g/mol, XLogP of 5.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide is sourced from PubChem (CID 55893391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).