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

C24H19ClF3N5O3 — CID 56970657

IUPAC2-(2-chloro-6-fluoroanilino)-N-[6-(difluoromethoxy)-3-pyridinyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCC1(C)Cc2c(c(C(=O)Nc3ccc(OC(F)F)nc3)cc3[nH]c(Nc4c(F)cccc4Cl)nc23)O1
InChIInChI=1S/C24H19ClF3N5O3/c1-24(2)9-13-18-16(31-23(32-18)33-19-14(25)4-3-5-15(19)26)8-12(20(13)36-24)21(34)30-11-6-7-17(29-10-11)35-22(27)28/h3-8,10,22H,9H2,1-2H3,(H,30,34)(H2,31,32,33)
InChIKeyARGGHFTVLOOPLS-UHFFFAOYSA-N
MW517.90 g/mol
LogP6.06
Rot. Bonds6

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

2-(2-chloro-6-fluoroanilino)-N-[6-(difluoromethoxy)-3-pyridinyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (PubChem CID 56970657) has the molecular formula C24H19ClF3N5O3 and a molecular weight of 517.90 g/mol. Its IUPAC name is 2-(2-chloro-6-fluoroanilino)-N-[6-(difluoromethoxy)-3-pyridinyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluoroanilino)-N-[6-(difluoromethoxy)-3-pyridinyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
PubChem CID56970657
Molecular FormulaC24H19ClF3N5O3
Molecular Weight517.90 g/mol
Exact Mass517.11
IUPAC Name2-(2-chloro-6-fluoroanilino)-N-[6-(difluoromethoxy)-3-pyridinyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
SMILESCC1(C)Cc2c(c(C(=O)Nc3ccc(OC(F)F)nc3)cc3[nH]c(Nc4c(F)cccc4Cl)nc23)O1
InChIInChI=1S/C24H19ClF3N5O3/c1-24(2)9-13-18-16(31-23(32-18)33-19-14(25)4-3-5-15(19)26)8-12(20(13)36-24)21(34)30-11-6-7-17(29-10-11)35-22(27)28/h3-8,10,22H,9H2,1-2H3,(H,30,34)(H2,31,32,33)
InChIKeyARGGHFTVLOOPLS-UHFFFAOYSA-N
XLogP6.06
TPSA101.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.90
LogP ≤ 56.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluoroanilino)-N-[6-(difluoromethoxy)-3-pyridinyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The IUPAC name of 2-(2-chloro-6-fluoroanilino)-N-[6-(difluoromethoxy)-3-pyridinyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide (CID 56970657) is 2-(2-chloro-6-fluoroanilino)-N-[6-(difluoromethoxy)-3-pyridinyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2-chloro-6-fluoroanilino)-N-[6-(difluoromethoxy)-3-pyridinyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2-chloro-6-fluoroanilino)-N-[6-(difluoromethoxy)-3-pyridinyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is CC1(C)Cc2c(c(C(=O)Nc3ccc(OC(F)F)nc3)cc3[nH]c(Nc4c(F)cccc4Cl)nc23)O1.
What is the InChIKey of 2-(2-chloro-6-fluoroanilino)-N-[6-(difluoromethoxy)-3-pyridinyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
The InChIKey is ARGGHFTVLOOPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF3N5O3/c1-24(2)9-13-18-16(31-23(32-18)33-19-14(25)4-3-5-15(19)26)8-12(20(13)36-24)21(34)30-11-6-7-17(29-10-11)35-22(27)28/h3-8,10,22H,9H2,1-2H3,(H,30,34)(H2,31,32,33).
What are the key properties of 2-(2-chloro-6-fluoroanilino)-N-[6-(difluoromethoxy)-3-pyridinyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide?
2-(2-chloro-6-fluoroanilino)-N-[6-(difluoromethoxy)-3-pyridinyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 517.90 g/mol, XLogP of 6.06, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluoroanilino)-N-[6-(difluoromethoxy)-3-pyridinyl]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 56970657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).