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

C19H15ClFN5O3 — CID 118424174

IUPAC4-N-[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
SMILESCNC(=O)c1[nH]cnc1C(=O)Nc1ccc(NC(=O)c2ccccc2Cl)c(F)c1
InChIInChI=1S/C19H15ClFN5O3/c1-22-18(28)15-16(24-9-23-15)19(29)25-10-6-7-14(13(21)8-10)26-17(27)11-4-2-3-5-12(11)20/h2-9H,1H3,(H,22,28)(H,23,24)(H,25,29)(H,26,27)
InChIKeyPXRLOLQYKFQDMK-UHFFFAOYSA-N
MW415.81 g/mol
LogP3.07
Rot. Bonds5

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

4-N-[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide (PubChem CID 118424174) has the molecular formula C19H15ClFN5O3 and a molecular weight of 415.81 g/mol. Its IUPAC name is 4-N-[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
PubChem CID118424174
Molecular FormulaC19H15ClFN5O3
Molecular Weight415.81 g/mol
Exact Mass415.08
IUPAC Name4-N-[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
SMILESCNC(=O)c1[nH]cnc1C(=O)Nc1ccc(NC(=O)c2ccccc2Cl)c(F)c1
InChIInChI=1S/C19H15ClFN5O3/c1-22-18(28)15-16(24-9-23-15)19(29)25-10-6-7-14(13(21)8-10)26-17(27)11-4-2-3-5-12(11)20/h2-9H,1H3,(H,22,28)(H,23,24)(H,25,29)(H,26,27)
InChIKeyPXRLOLQYKFQDMK-UHFFFAOYSA-N
XLogP3.07
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.81
LogP ≤ 53.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N-[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide (CID 118424174) is 4-N-[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide is CNC(=O)c1[nH]cnc1C(=O)Nc1ccc(NC(=O)c2ccccc2Cl)c(F)c1.
What is the InChIKey of 4-N-[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The InChIKey is PXRLOLQYKFQDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN5O3/c1-22-18(28)15-16(24-9-23-15)19(29)25-10-6-7-14(13(21)8-10)26-17(27)11-4-2-3-5-12(11)20/h2-9H,1H3,(H,22,28)(H,23,24)(H,25,29)(H,26,27).
What are the key properties of 4-N-[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
4-N-[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide has a molecular weight of 415.81 g/mol, XLogP of 3.07, 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-chlorobenzoyl)amino]-3-fluorophenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 118424174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).