2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide

C19H19ClFN3O2 — CID 78836218

IUPAC2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
SMILESCc1oc(NC(=O)CN(Cc2c(F)cccc2Cl)C2CC2)c(C#N)c1C
InChIInChI=1S/C19H19ClFN3O2/c1-11-12(2)26-19(14(11)8-22)23-18(25)10-24(13-6-7-13)9-15-16(20)4-3-5-17(15)21/h3-5,13H,6-7,9-10H2,1-2H3,(H,23,25)
InChIKeyZWLBUPPQASDSNK-UHFFFAOYSA-N
MW375.83 g/mol
LogP4.16
Rot. Bonds6

About 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide

2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide (PubChem CID 78836218) has the molecular formula C19H19ClFN3O2 and a molecular weight of 375.83 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
PubChem CID78836218
Molecular FormulaC19H19ClFN3O2
Molecular Weight375.83 g/mol
Exact Mass375.11
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
SMILESCc1oc(NC(=O)CN(Cc2c(F)cccc2Cl)C2CC2)c(C#N)c1C
InChIInChI=1S/C19H19ClFN3O2/c1-11-12(2)26-19(14(11)8-22)23-18(25)10-24(13-6-7-13)9-15-16(20)4-3-5-17(15)21/h3-5,13H,6-7,9-10H2,1-2H3,(H,23,25)
InChIKeyZWLBUPPQASDSNK-UHFFFAOYSA-N
XLogP4.16
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(2,6-dimethylphenyl)acetamide
CID 17489433
2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid
CID 60833874
2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(2,5-difluorophenyl)acetamide
CID 34717732
ethyl 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetate
CID 60697155
2-[(2-chloro-6-fluorophenyl)methyl-(2,3-dimethylcyclohexyl)amino]-N-(cyanomethyl)acetamide
CID 56574719
2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 17432024
ethyl 5-[[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetyl]amino]-1-methylpyrazole-4-carboxylate
CID 56541025
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
CID 18136161
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 16593722
2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 55445713
N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzamide
CID 17491721
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 109398195

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide (CID 78836218) is 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide is Cc1oc(NC(=O)CN(Cc2c(F)cccc2Cl)C2CC2)c(C#N)c1C.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide?
The InChIKey is ZWLBUPPQASDSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O2/c1-11-12(2)26-19(14(11)8-22)23-18(25)10-24(13-6-7-13)9-15-16(20)4-3-5-17(15)21/h3-5,13H,6-7,9-10H2,1-2H3,(H,23,25).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide?
2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide has a molecular weight of 375.83 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide is sourced from PubChem (CID 78836218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).