N-(2,6-dichlorophenyl)-2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-ethylamino]acetamide

C19H18Cl2F2N4O — CID 78833865

IUPACN-(2,6-dichlorophenyl)-2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1nc2ccccc2n1C(F)F
InChIInChI=1S/C19H18Cl2F2N4O/c1-2-26(11-17(28)25-18-12(20)6-5-7-13(18)21)10-16-24-14-8-3-4-9-15(14)27(16)19(22)23/h3-9,19H,2,10-11H2,1H3,(H,25,28)
InChIKeyVHMHAWXCJHEGTH-UHFFFAOYSA-N
MW427.28 g/mol
LogP5.20
Rot. Bonds7

About N-(2,6-dichlorophenyl)-2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-ethylamino]acetamide

N-(2,6-dichlorophenyl)-2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-ethylamino]acetamide (PubChem CID 78833865) has the molecular formula C19H18Cl2F2N4O and a molecular weight of 427.28 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-ethylamino]acetamide
PubChem CID78833865
Molecular FormulaC19H18Cl2F2N4O
Molecular Weight427.28 g/mol
Exact Mass426.08
IUPAC NameN-(2,6-dichlorophenyl)-2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1nc2ccccc2n1C(F)F
InChIInChI=1S/C19H18Cl2F2N4O/c1-2-26(11-17(28)25-18-12(20)6-5-7-13(18)21)10-16-24-14-8-3-4-9-15(14)27(16)19(22)23/h3-9,19H,2,10-11H2,1H3,(H,25,28)
InChIKeyVHMHAWXCJHEGTH-UHFFFAOYSA-N
XLogP5.20
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.28
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-N-phenylacetamide
CID 34925634
N-[2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 25341725
N-(2,6-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171502
(2S)-N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-1-ethylsulfonyl-N-methylpropan-2-amine
CID 95900557
N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-2-ethoxy-N-methylbenzamide
CID 39975772
2-[carboxymethyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid
CID 63646991
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
2-[benzyl(ethyl)amino]-N-(2,6-diethylphenyl)acetamide
CID 78787460
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 41445035
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxypropyl)acetamide
CID 78827820
2-[butyl-[2-(diethylamino)ethyl]amino]-N-(2-chloro-6-methylphenyl)acetamide;hydrochloride
CID 138396783
N-(2,6-dichlorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 112706093

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-ethylamino]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-ethylamino]acetamide (CID 78833865) is N-(2,6-dichlorophenyl)-2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-ethylamino]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-ethylamino]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-ethylamino]acetamide is CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1nc2ccccc2n1C(F)F.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-ethylamino]acetamide?
The InChIKey is VHMHAWXCJHEGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2F2N4O/c1-2-26(11-17(28)25-18-12(20)6-5-7-13(18)21)10-16-24-14-8-3-4-9-15(14)27(16)19(22)23/h3-9,19H,2,10-11H2,1H3,(H,25,28).
What are the key properties of N-(2,6-dichlorophenyl)-2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-ethylamino]acetamide?
N-(2,6-dichlorophenyl)-2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-ethylamino]acetamide has a molecular weight of 427.28 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-ethylamino]acetamide is sourced from PubChem (CID 78833865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).