4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-hydroxyethyl)-1H-imidazole-4,5-dicarboxamide

C20H18FN5O4 — CID 118419689

IUPAC4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-hydroxyethyl)-1H-imidazole-4,5-dicarboxamide
SMILESO=C(Nc1ccc(NC(=O)c2nc[nH]c2C(=O)NCCO)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H18FN5O4/c21-13-3-1-12(2-4-13)18(28)25-14-5-7-15(8-6-14)26-20(30)17-16(23-11-24-17)19(29)22-9-10-27/h1-8,11,27H,9-10H2,(H,22,29)(H,23,24)(H,25,28)(H,26,30)
InChIKeyDUNCRAGXRQVXQJ-UHFFFAOYSA-N
MW411.39 g/mol
LogP1.78
Rot. Bonds7

About 4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-hydroxyethyl)-1H-imidazole-4,5-dicarboxamide

4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-hydroxyethyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 118419689) has the molecular formula C20H18FN5O4 and a molecular weight of 411.39 g/mol. Its IUPAC name is 4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-hydroxyethyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-hydroxyethyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID118419689
Molecular FormulaC20H18FN5O4
Molecular Weight411.39 g/mol
Exact Mass411.13
IUPAC Name4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-hydroxyethyl)-1H-imidazole-4,5-dicarboxamide
SMILESO=C(Nc1ccc(NC(=O)c2nc[nH]c2C(=O)NCCO)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H18FN5O4/c21-13-3-1-12(2-4-13)18(28)25-14-5-7-15(8-6-14)26-20(30)17-16(23-11-24-17)19(29)22-9-10-27/h1-8,11,27H,9-10H2,(H,22,29)(H,23,24)(H,25,28)(H,26,30)
InChIKeyDUNCRAGXRQVXQJ-UHFFFAOYSA-N
XLogP1.78
TPSA136.21 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.39
LogP ≤ 51.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-methylpropyl)-1H-imidazole-4,5-dicarboxamide
CID 118419725
5-N-benzyl-4-N-(4-fluorophenyl)-1H-imidazole-4,5-dicarboxamide
CID 4736415
5-N-[2-(azetidin-1-yl)ethyl]-4-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]phenyl]-1H-imidazole-4,5-dicarboxamide
CID 160796157
4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-1H-imidazole-4,5-dicarboxamide
CID 118419463
5-N-ethyl-4-N-[4-(methylamino)phenyl]-1H-imidazole-4,5-dicarboxamide
CID 144936571
4-N-[4-[2-(2-chloro-4-fluorophenyl)-2-oxoethyl]phenyl]-5-N-(2-fluoroethyl)-1H-imidazole-4,5-dicarboxamide
CID 153025754
4-N-[4-[(4-methoxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424134
5-N-(2,2-dimethylpropyl)-4-N-[4-(methylamino)phenyl]-1H-imidazole-4,5-dicarboxamide;4-fluorobenzaldehyde
CID 144936548
3-[(4-fluorobenzoyl)amino]-N-(2-hydroxyethyl)benzamide
CID 110888564
4-N-[4-[(3,5-dichlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 123530024
4-[(4-fluorobenzoyl)amino]-N-[2-[(4-iodobenzoyl)amino]ethyl]benzamide
CID 121062019
3,5-dichloro-N-[4-(2-hydroxyethylcarbamoyl)phenyl]benzamide
CID 78862424

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-hydroxyethyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-hydroxyethyl)-1H-imidazole-4,5-dicarboxamide (CID 118419689) is 4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-hydroxyethyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-hydroxyethyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-hydroxyethyl)-1H-imidazole-4,5-dicarboxamide is O=C(Nc1ccc(NC(=O)c2nc[nH]c2C(=O)NCCO)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-hydroxyethyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is DUNCRAGXRQVXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O4/c21-13-3-1-12(2-4-13)18(28)25-14-5-7-15(8-6-14)26-20(30)17-16(23-11-24-17)19(29)22-9-10-27/h1-8,11,27H,9-10H2,(H,22,29)(H,23,24)(H,25,28)(H,26,30).
What are the key properties of 4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-hydroxyethyl)-1H-imidazole-4,5-dicarboxamide?
4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-hydroxyethyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 411.39 g/mol, XLogP of 1.78, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-hydroxyethyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 118419689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).