N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide

C24H18F2N4O3 — CID 55725884

IUPACN-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cncn2-c2ccc(F)cc2)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C24H18F2N4O3/c1-33-22-10-7-18(12-20(22)29-23(31)15-3-2-4-17(26)11-15)28-24(32)21-13-27-14-30(21)19-8-5-16(25)6-9-19/h2-14H,1H3,(H,28,32)(H,29,31)
InChIKeyRMFSTYIDHAHWMH-UHFFFAOYSA-N
MW448.43 g/mol
LogP4.66
Rot. Bonds6

About N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide

N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide (PubChem CID 55725884) has the molecular formula C24H18F2N4O3 and a molecular weight of 448.43 g/mol. Its IUPAC name is N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
PubChem CID55725884
Molecular FormulaC24H18F2N4O3
Molecular Weight448.43 g/mol
Exact Mass448.13
IUPAC NameN-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cncn2-c2ccc(F)cc2)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C24H18F2N4O3/c1-33-22-10-7-18(12-20(22)29-23(31)15-3-2-4-17(26)11-15)28-24(32)21-13-27-14-30(21)19-8-5-16(25)6-9-19/h2-14H,1H3,(H,28,32)(H,29,31)
InChIKeyRMFSTYIDHAHWMH-UHFFFAOYSA-N
XLogP4.66
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.43
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55779610
2-fluoro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide
CID 46487214
N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 55725650
3-fluoro-N-[5-[[2-(3-fluorophenyl)acetyl]amino]-2-methoxyphenyl]benzamide
CID 55725735
N-[5-[[4-(diethylsulfamoyl)benzoyl]amino]-2-methoxyphenyl]-3-fluorobenzamide
CID 46487202
2-ethylsulfinyl-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide
CID 112827439
3-fluoro-N-[2-methoxy-5-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]benzamide
CID 119709950
N-(3-amino-4-methoxyphenyl)-3-fluorobenzamide
CID 28866814
3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid
CID 28667508
2,3,5-trichloro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-6-hydroxybenzamide
CID 112827442
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3,4-dimethoxybenzamide
CID 5035579
3-N-(3-fluorophenyl)-5-N-(2-methoxy-5-methylphenyl)pyridine-3,5-dicarboxamide
CID 109108948

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
The IUPAC name of N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide (CID 55725884) is N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide.
What is the SMILES notation for N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
The canonical SMILES for N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide is COc1ccc(NC(=O)c2cncn2-c2ccc(F)cc2)cc1NC(=O)c1cccc(F)c1.
What is the InChIKey of N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
The InChIKey is RMFSTYIDHAHWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N4O3/c1-33-22-10-7-18(12-20(22)29-23(31)15-3-2-4-17(26)11-15)28-24(32)21-13-27-14-30(21)19-8-5-16(25)6-9-19/h2-14H,1H3,(H,28,32)(H,29,31).
What are the key properties of N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide has a molecular weight of 448.43 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide is sourced from PubChem (CID 55725884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).