2-(2-chloro-6-fluoroanilino)-N-(4-fluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide

C24H19ClF2N4O2 — CID 67503231

IUPAC2-(2-chloro-6-fluoroanilino)-N-(4-fluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCC1(C)Cc2c(c(C(=O)Nc3ccc(F)cc3)cc3[nH]c(Nc4c(F)cccc4Cl)nc23)O1
InChIInChI=1S/C24H19ClF2N4O2/c1-24(2)11-15-19-18(29-23(30-19)31-20-16(25)4-3-5-17(20)27)10-14(21(15)33-24)22(32)28-13-8-6-12(26)7-9-13/h3-10H,11H2,1-2H3,(H,28,32)(H2,29,30,31)
InChIKeyVHVRYJXOGNHJCQ-UHFFFAOYSA-N
MW468.89 g/mol
LogP6.20
Rot. Bonds4

About 2-(2-chloro-6-fluoroanilino)-N-(4-fluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide

2-(2-chloro-6-fluoroanilino)-N-(4-fluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (PubChem CID 67503231) has the molecular formula C24H19ClF2N4O2 and a molecular weight of 468.89 g/mol. Its IUPAC name is 2-(2-chloro-6-fluoroanilino)-N-(4-fluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluoroanilino)-N-(4-fluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
PubChem CID67503231
Molecular FormulaC24H19ClF2N4O2
Molecular Weight468.89 g/mol
Exact Mass468.12
IUPAC Name2-(2-chloro-6-fluoroanilino)-N-(4-fluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCC1(C)Cc2c(c(C(=O)Nc3ccc(F)cc3)cc3[nH]c(Nc4c(F)cccc4Cl)nc23)O1
InChIInChI=1S/C24H19ClF2N4O2/c1-24(2)11-15-19-18(29-23(30-19)31-20-16(25)4-3-5-17(20)27)10-14(21(15)33-24)22(32)28-13-8-6-12(26)7-9-13/h3-10H,11H2,1-2H3,(H,28,32)(H2,29,30,31)
InChIKeyVHVRYJXOGNHJCQ-UHFFFAOYSA-N
XLogP6.20
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.89
LogP ≤ 56.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(2-chloro-6-fluoroanilino)-N-(4-fluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide 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 2-(2-chloro-6-fluoroanilino)-N-(4-fluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The IUPAC name of 2-(2-chloro-6-fluoroanilino)-N-(4-fluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (CID 67503231) is 2-(2-chloro-6-fluoroanilino)-N-(4-fluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2-chloro-6-fluoroanilino)-N-(4-fluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2-chloro-6-fluoroanilino)-N-(4-fluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is CC1(C)Cc2c(c(C(=O)Nc3ccc(F)cc3)cc3[nH]c(Nc4c(F)cccc4Cl)nc23)O1.
What is the InChIKey of 2-(2-chloro-6-fluoroanilino)-N-(4-fluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The InChIKey is VHVRYJXOGNHJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF2N4O2/c1-24(2)11-15-19-18(29-23(30-19)31-20-16(25)4-3-5-17(20)27)10-14(21(15)33-24)22(32)28-13-8-6-12(26)7-9-13/h3-10H,11H2,1-2H3,(H,28,32)(H2,29,30,31).
What are the key properties of 2-(2-chloro-6-fluoroanilino)-N-(4-fluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
2-(2-chloro-6-fluoroanilino)-N-(4-fluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 468.89 g/mol, XLogP of 6.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluoroanilino)-N-(4-fluorophenyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 67503231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).