2-(2-bromo-4-chlorophenoxy)-N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]propanamide

C19H17BrClF2N3O2 — CID 24665902

IUPAC2-(2-bromo-4-chlorophenoxy)-N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)NC(C)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C19H17BrClF2N3O2/c1-10(17-25-14-5-3-4-6-15(14)26(17)19(22)23)24-18(27)11(2)28-16-8-7-12(21)9-13(16)20/h3-11,19H,1-2H3,(H,24,27)
InChIKeyOKSBZMIPOBTWMC-UHFFFAOYSA-N
MW472.72 g/mol
LogP5.49
Rot. Bonds6

About 2-(2-bromo-4-chlorophenoxy)-N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]propanamide

2-(2-bromo-4-chlorophenoxy)-N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]propanamide (PubChem CID 24665902) has the molecular formula C19H17BrClF2N3O2 and a molecular weight of 472.72 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]propanamide
PubChem CID24665902
Molecular FormulaC19H17BrClF2N3O2
Molecular Weight472.72 g/mol
Exact Mass471.02
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)NC(C)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C19H17BrClF2N3O2/c1-10(17-25-14-5-3-4-6-15(14)26(17)19(22)23)24-18(27)11(2)28-16-8-7-12(21)9-13(16)20/h3-11,19H,1-2H3,(H,24,27)
InChIKeyOKSBZMIPOBTWMC-UHFFFAOYSA-N
XLogP5.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.72
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide
CID 40773106
2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]propanoic acid
CID 43170814
1-[1-(4-chlorophenyl)ethyl]-3-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-1-methylurea
CID 42889930
2-[(2-bromo-4-chlorophenoxy)methyl]-1-(difluoromethyl)benzimidazole
CID 16625202
methyl 2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]propanoate
CID 60727143
2-[(4-chlorophenyl)methylsulfanyl]-N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]acetamide
CID 24608823
2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide
CID 115283555
2-(2-bromo-4-chlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 17231996
2-bromo-N-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-4-methylbenzenesulfonamide
CID 25330658
2-bromo-N-[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-4-methylbenzenesulfonamide
CID 25330657
2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethoxyphenyl)ethyl]propanamide
CID 55580167
N-benzyl-2-(2-bromo-4-chlorophenoxy)propanamide
CID 4981350

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]propanamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]propanamide (CID 24665902) is 2-(2-bromo-4-chlorophenoxy)-N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]propanamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]propanamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]propanamide is CC(Oc1ccc(Cl)cc1Br)C(=O)NC(C)c1nc2ccccc2n1C(F)F.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]propanamide?
The InChIKey is OKSBZMIPOBTWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrClF2N3O2/c1-10(17-25-14-5-3-4-6-15(14)26(17)19(22)23)24-18(27)11(2)28-16-8-7-12(21)9-13(16)20/h3-11,19H,1-2H3,(H,24,27).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]propanamide?
2-(2-bromo-4-chlorophenoxy)-N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]propanamide has a molecular weight of 472.72 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]propanamide is sourced from PubChem (CID 24665902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).