N-(4-chloro-3-fluorophenyl)-2-(2,6-dichloroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide

C20H11Cl3F2N4O — CID 45137009

IUPACN-(4-chloro-3-fluorophenyl)-2-(2,6-dichloroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(F)c1)c1cc2nc(Nc3c(Cl)cccc3Cl)[nH]c2cc1F
InChIInChI=1S/C20H11Cl3F2N4O/c21-11-5-4-9(6-15(11)25)26-19(30)10-7-16-17(8-14(10)24)28-20(27-16)29-18-12(22)2-1-3-13(18)23/h1-8H,(H,26,30)(H2,27,28,29)
InChIKeyCXQQQOBJKCXXIT-UHFFFAOYSA-N
MW467.69 g/mol
LogP6.80
Rot. Bonds4

About N-(4-chloro-3-fluorophenyl)-2-(2,6-dichloroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide

N-(4-chloro-3-fluorophenyl)-2-(2,6-dichloroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide (PubChem CID 45137009) has the molecular formula C20H11Cl3F2N4O and a molecular weight of 467.69 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-2-(2,6-dichloroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-2-(2,6-dichloroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide
PubChem CID45137009
Molecular FormulaC20H11Cl3F2N4O
Molecular Weight467.69 g/mol
Exact Mass466.00
IUPAC NameN-(4-chloro-3-fluorophenyl)-2-(2,6-dichloroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(F)c1)c1cc2nc(Nc3c(Cl)cccc3Cl)[nH]c2cc1F
InChIInChI=1S/C20H11Cl3F2N4O/c21-11-5-4-9(6-15(11)25)26-19(30)10-7-16-17(8-14(10)24)28-20(27-16)29-18-12(22)2-1-3-13(18)23/h1-8H,(H,26,30)(H2,27,28,29)
InChIKeyCXQQQOBJKCXXIT-UHFFFAOYSA-N
XLogP6.80
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.69
LogP ≤ 56.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dichloroanilino)-6-fluoro-N-(1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-1H-benzimidazole-5-carboxamide
CID 45137301
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide
CID 87318781
N-(4-chloro-3-fluorophenyl)-2-[(2,6-dichlorophenyl)methyl]-6-methyl-1H-benzimidazole-5-carboxamide
CID 58562458
2-(2,6-dichloroanilino)-N-(2,2-difluorocyclohexyl)-6-fluoro-1H-benzimidazole-5-carboxamide
CID 161120436
N-(3-chlorophenyl)-2-(3,6-dichloro-2-fluoroanilino)-6-propan-2-yloxy-3H-benzimidazole-5-carboxamide
CID 67230592
N-(3-chloro-4-fluorophenyl)-2-[3-[(2,2-dimethylpropanoylamino)methyl]-2,6-difluoroanilino]-6-fluoro-1H-benzimidazole-5-carboxamide
CID 56837368
N-(3-bromophenyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide
CID 45138811
N-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluoroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide
CID 58562268
N-(4-chloro-3-fluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 103941277
N-(4-chloro-3-fluorophenyl)-2-iodobenzamide
CID 47227907
tert-butylcyclohexane;2-(2-chloro-6-fluoroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide
CID 143961965
N-(4-chloro-3-fluorophenyl)-1H-indole-4-carboxamide
CID 61274358

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-2-(2,6-dichloroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-2-(2,6-dichloroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide (CID 45137009) is N-(4-chloro-3-fluorophenyl)-2-(2,6-dichloroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-2-(2,6-dichloroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-2-(2,6-dichloroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide is O=C(Nc1ccc(Cl)c(F)c1)c1cc2nc(Nc3c(Cl)cccc3Cl)[nH]c2cc1F.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-2-(2,6-dichloroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide?
The InChIKey is CXQQQOBJKCXXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl3F2N4O/c21-11-5-4-9(6-15(11)25)26-19(30)10-7-16-17(8-14(10)24)28-20(27-16)29-18-12(22)2-1-3-13(18)23/h1-8H,(H,26,30)(H2,27,28,29).
What are the key properties of N-(4-chloro-3-fluorophenyl)-2-(2,6-dichloroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide?
N-(4-chloro-3-fluorophenyl)-2-(2,6-dichloroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide has a molecular weight of 467.69 g/mol, XLogP of 6.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-2-(2,6-dichloroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide is sourced from PubChem (CID 45137009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).