N-(2-chloro-6-fluorophenyl)-4-[1-cyclopropyl-2-(hydroxymethyl)imidazol-4-yl]-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide

C23H19ClF5N3O3 — CID 171574221

IUPACN-(2-chloro-6-fluorophenyl)-4-[1-cyclopropyl-2-(hydroxymethyl)imidazol-4-yl]-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
SMILESCC(Oc1cc(-c2cn(C3CC3)c(CO)n2)c(F)cc1C(=O)Nc1c(F)cccc1Cl)C(F)(F)F
InChIInChI=1S/C23H19ClF5N3O3/c1-11(23(27,28)29)35-19-8-13(18-9-32(12-5-6-12)20(10-33)30-18)17(26)7-14(19)22(34)31-21-15(24)3-2-4-16(21)25/h2-4,7-9,11-12,33H,5-6,10H2,1H3,(H,31,34)
InChIKeyGJKWGDMKQYIHRJ-UHFFFAOYSA-N
MW515.87 g/mol
LogP5.89
Rot. Bonds7

About N-(2-chloro-6-fluorophenyl)-4-[1-cyclopropyl-2-(hydroxymethyl)imidazol-4-yl]-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide

N-(2-chloro-6-fluorophenyl)-4-[1-cyclopropyl-2-(hydroxymethyl)imidazol-4-yl]-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide (PubChem CID 171574221) has the molecular formula C23H19ClF5N3O3 and a molecular weight of 515.87 g/mol. Its IUPAC name is N-(2-chloro-6-fluorophenyl)-4-[1-cyclopropyl-2-(hydroxymethyl)imidazol-4-yl]-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide.

Molecular Properties

Compound NameN-(2-chloro-6-fluorophenyl)-4-[1-cyclopropyl-2-(hydroxymethyl)imidazol-4-yl]-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
PubChem CID171574221
Molecular FormulaC23H19ClF5N3O3
Molecular Weight515.87 g/mol
Exact Mass515.10
IUPAC NameN-(2-chloro-6-fluorophenyl)-4-[1-cyclopropyl-2-(hydroxymethyl)imidazol-4-yl]-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
SMILESCC(Oc1cc(-c2cn(C3CC3)c(CO)n2)c(F)cc1C(=O)Nc1c(F)cccc1Cl)C(F)(F)F
InChIInChI=1S/C23H19ClF5N3O3/c1-11(23(27,28)29)35-19-8-13(18-9-32(12-5-6-12)20(10-33)30-18)17(26)7-14(19)22(34)31-21-15(24)3-2-4-16(21)25/h2-4,7-9,11-12,33H,5-6,10H2,1H3,(H,31,34)
InChIKeyGJKWGDMKQYIHRJ-UHFFFAOYSA-N
XLogP5.89
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.87
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-chloro-6-fluorophenyl)-4-[1-cyclopropyl-2-(hydroxymethyl)imidazol-4-yl]-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-fluorophenyl)-4-[1-cyclopropyl-2-(hydroxymethyl)imidazol-4-yl]-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The IUPAC name of N-(2-chloro-6-fluorophenyl)-4-[1-cyclopropyl-2-(hydroxymethyl)imidazol-4-yl]-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide (CID 171574221) is N-(2-chloro-6-fluorophenyl)-4-[1-cyclopropyl-2-(hydroxymethyl)imidazol-4-yl]-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide.
What is the SMILES notation for N-(2-chloro-6-fluorophenyl)-4-[1-cyclopropyl-2-(hydroxymethyl)imidazol-4-yl]-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The canonical SMILES for N-(2-chloro-6-fluorophenyl)-4-[1-cyclopropyl-2-(hydroxymethyl)imidazol-4-yl]-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide is CC(Oc1cc(-c2cn(C3CC3)c(CO)n2)c(F)cc1C(=O)Nc1c(F)cccc1Cl)C(F)(F)F.
What is the InChIKey of N-(2-chloro-6-fluorophenyl)-4-[1-cyclopropyl-2-(hydroxymethyl)imidazol-4-yl]-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The InChIKey is GJKWGDMKQYIHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF5N3O3/c1-11(23(27,28)29)35-19-8-13(18-9-32(12-5-6-12)20(10-33)30-18)17(26)7-14(19)22(34)31-21-15(24)3-2-4-16(21)25/h2-4,7-9,11-12,33H,5-6,10H2,1H3,(H,31,34).
What are the key properties of N-(2-chloro-6-fluorophenyl)-4-[1-cyclopropyl-2-(hydroxymethyl)imidazol-4-yl]-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide?
N-(2-chloro-6-fluorophenyl)-4-[1-cyclopropyl-2-(hydroxymethyl)imidazol-4-yl]-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide has a molecular weight of 515.87 g/mol, XLogP of 5.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-fluorophenyl)-4-[1-cyclopropyl-2-(hydroxymethyl)imidazol-4-yl]-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide is sourced from PubChem (CID 171574221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).