N-(4-chloro-2-fluorophenyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide

C24H20ClFN4O2 — CID 18727930

IUPACN-(4-chloro-2-fluorophenyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
SMILESCN1CCN=C1c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C24H20ClFN4O2/c1-30-13-12-27-22(30)15-6-8-16(9-7-15)23(31)28-20-5-3-2-4-18(20)24(32)29-21-11-10-17(25)14-19(21)26/h2-11,14H,12-13H2,1H3,(H,28,31)(H,29,32)
InChIKeyCBSOIBTVRYWQJC-UHFFFAOYSA-N
MW450.90 g/mol
LogP4.68
Rot. Bonds5

About N-(4-chloro-2-fluorophenyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide

N-(4-chloro-2-fluorophenyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide (PubChem CID 18727930) has the molecular formula C24H20ClFN4O2 and a molecular weight of 450.90 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
PubChem CID18727930
Molecular FormulaC24H20ClFN4O2
Molecular Weight450.90 g/mol
Exact Mass450.13
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
SMILESCN1CCN=C1c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C24H20ClFN4O2/c1-30-13-12-27-22(30)15-6-8-16(9-7-15)23(31)28-20-5-3-2-4-18(20)24(32)29-21-11-10-17(25)14-19(21)26/h2-11,14H,12-13H2,1H3,(H,28,31)(H,29,32)
InChIKeyCBSOIBTVRYWQJC-UHFFFAOYSA-N
XLogP4.68
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.90
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-chloro-2-fluorophenyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide with MolForge

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Related Compounds

N-(5-fluoro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 20747498
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 10162145
N-[4-chloro-2-(dimethylamino)phenyl]-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide
CID 70670824
N-(4-chlorophenyl)-5-methoxy-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 18728030
5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide
CID 70670957
CID 88883182
CID 88883182
N-(5-chloro-2-pyridinyl)-5-[2-(dimethylamino)ethylsulfanyl]-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 11376092
N-(5-bromo-2-pyridinyl)-5-chloro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-5-chloro-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 162069511
3,5-dichloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 10207342
5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 11192742
N-(4-chlorophenyl)-2-[2-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
CID 159828628
5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
CID 148805295

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide (CID 18727930) is N-(4-chloro-2-fluorophenyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide is CN1CCN=C1c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2F)cc1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide?
The InChIKey is CBSOIBTVRYWQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O2/c1-30-13-12-27-22(30)15-6-8-16(9-7-15)23(31)28-20-5-3-2-4-18(20)24(32)29-21-11-10-17(25)14-19(21)26/h2-11,14H,12-13H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide?
N-(4-chloro-2-fluorophenyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide has a molecular weight of 450.90 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide is sourced from PubChem (CID 18727930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).