4-N-[4-[(2,3-difluorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide

C19H15F2N5O3 — CID 123706994

IUPAC4-N-[4-[(2,3-difluorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
SMILESCNC(=O)c1[nH]cnc1C(=O)Nc1ccc(NC(=O)c2cccc(F)c2F)cc1
InChIInChI=1S/C19H15F2N5O3/c1-22-18(28)15-16(24-9-23-15)19(29)26-11-7-5-10(6-8-11)25-17(27)12-3-2-4-13(20)14(12)21/h2-9H,1H3,(H,22,28)(H,23,24)(H,25,27)(H,26,29)
InChIKeySNLOPGWFWJYIRR-UHFFFAOYSA-N
MW399.36 g/mol
LogP2.55
Rot. Bonds5

About 4-N-[4-[(2,3-difluorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide

4-N-[4-[(2,3-difluorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide (PubChem CID 123706994) has the molecular formula C19H15F2N5O3 and a molecular weight of 399.36 g/mol. Its IUPAC name is 4-N-[4-[(2,3-difluorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-[4-[(2,3-difluorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
PubChem CID123706994
Molecular FormulaC19H15F2N5O3
Molecular Weight399.36 g/mol
Exact Mass399.11
IUPAC Name4-N-[4-[(2,3-difluorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
SMILESCNC(=O)c1[nH]cnc1C(=O)Nc1ccc(NC(=O)c2cccc(F)c2F)cc1
InChIInChI=1S/C19H15F2N5O3/c1-22-18(28)15-16(24-9-23-15)19(29)26-11-7-5-10(6-8-11)25-17(27)12-3-2-4-13(20)14(12)21/h2-9H,1H3,(H,22,28)(H,23,24)(H,25,27)(H,26,29)
InChIKeySNLOPGWFWJYIRR-UHFFFAOYSA-N
XLogP2.55
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.36
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[4-[(2-chloro-4,5-difluorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424117
4-N-[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424174
4-N-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424005
4-N-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424076
4-N-[4-[(2-fluoro-4-pyrrolidin-1-ylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424089
4-N-[4-[(2-hydroxy-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 123410514
4-N-[4-[(2,5-dichlorothiophene-3-carbonyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424105
4-N-[4-[(3,5-dichlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 123530024
4-N-[4-[(3-chloropyrazine-2-carbonyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 134232339
5-N-methyl-4-N-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide
CID 4736407
4-N-[4-[(2-chloro-5-methoxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424146
4-N-[4-[(4-methoxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424134

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[(2,3-difluorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N-[4-[(2,3-difluorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide (CID 123706994) is 4-N-[4-[(2,3-difluorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-[4-[(2,3-difluorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-[4-[(2,3-difluorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide is CNC(=O)c1[nH]cnc1C(=O)Nc1ccc(NC(=O)c2cccc(F)c2F)cc1.
What is the InChIKey of 4-N-[4-[(2,3-difluorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The InChIKey is SNLOPGWFWJYIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O3/c1-22-18(28)15-16(24-9-23-15)19(29)26-11-7-5-10(6-8-11)25-17(27)12-3-2-4-13(20)14(12)21/h2-9H,1H3,(H,22,28)(H,23,24)(H,25,27)(H,26,29).
What are the key properties of 4-N-[4-[(2,3-difluorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
4-N-[4-[(2,3-difluorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide has a molecular weight of 399.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[(2,3-difluorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 123706994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).