2-(N-carbamoyl-4-chloroanilino)-2-(4-fluorophenyl)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]acetamide

C25H23ClFN5O2 — CID 68691669

IUPAC2-(N-carbamoyl-4-chloroanilino)-2-(4-fluorophenyl)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]acetamide
SMILESCN1CCN=C1c1ccc(NC(=O)C(c2ccc(F)cc2)N(C(N)=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H23ClFN5O2/c1-31-15-14-29-23(31)17-4-10-20(11-5-17)30-24(33)22(16-2-8-19(27)9-3-16)32(25(28)34)21-12-6-18(26)7-13-21/h2-13,22H,14-15H2,1H3,(H2,28,34)(H,30,33)
InChIKeyLQVIVKCXCYJTNR-UHFFFAOYSA-N
MW479.94 g/mol
LogP4.44
Rot. Bonds6

About 2-(N-carbamoyl-4-chloroanilino)-2-(4-fluorophenyl)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]acetamide

2-(N-carbamoyl-4-chloroanilino)-2-(4-fluorophenyl)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]acetamide (PubChem CID 68691669) has the molecular formula C25H23ClFN5O2 and a molecular weight of 479.94 g/mol. Its IUPAC name is 2-(N-carbamoyl-4-chloroanilino)-2-(4-fluorophenyl)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(N-carbamoyl-4-chloroanilino)-2-(4-fluorophenyl)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]acetamide
PubChem CID68691669
Molecular FormulaC25H23ClFN5O2
Molecular Weight479.94 g/mol
Exact Mass479.15
IUPAC Name2-(N-carbamoyl-4-chloroanilino)-2-(4-fluorophenyl)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]acetamide
SMILESCN1CCN=C1c1ccc(NC(=O)C(c2ccc(F)cc2)N(C(N)=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H23ClFN5O2/c1-31-15-14-29-23(31)17-4-10-20(11-5-17)30-24(33)22(16-2-8-19(27)9-3-16)32(25(28)34)21-12-6-18(26)7-13-21/h2-13,22H,14-15H2,1H3,(H2,28,34)(H,30,33)
InChIKeyLQVIVKCXCYJTNR-UHFFFAOYSA-N
XLogP4.44
TPSA91.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.94
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(N-carbamoyl-4-chloroanilino)-2-(4-fluorophenyl)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-(N-carbamoyl-4-chloroanilino)-2-(4-fluorophenyl)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]acetamide (CID 68691669) is 2-(N-carbamoyl-4-chloroanilino)-2-(4-fluorophenyl)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(N-carbamoyl-4-chloroanilino)-2-(4-fluorophenyl)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(N-carbamoyl-4-chloroanilino)-2-(4-fluorophenyl)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]acetamide is CN1CCN=C1c1ccc(NC(=O)C(c2ccc(F)cc2)N(C(N)=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(N-carbamoyl-4-chloroanilino)-2-(4-fluorophenyl)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]acetamide?
The InChIKey is LQVIVKCXCYJTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN5O2/c1-31-15-14-29-23(31)17-4-10-20(11-5-17)30-24(33)22(16-2-8-19(27)9-3-16)32(25(28)34)21-12-6-18(26)7-13-21/h2-13,22H,14-15H2,1H3,(H2,28,34)(H,30,33).
What are the key properties of 2-(N-carbamoyl-4-chloroanilino)-2-(4-fluorophenyl)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]acetamide?
2-(N-carbamoyl-4-chloroanilino)-2-(4-fluorophenyl)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]acetamide has a molecular weight of 479.94 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-carbamoyl-4-chloroanilino)-2-(4-fluorophenyl)-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 68691669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).