N-[(2-chloro-6-fluorophenyl)methyl]-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine

C20H19ClFN3O — CID 33195854

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESCc1ccc(-c2nnc(CN(Cc3c(F)cccc3Cl)C3CC3)o2)cc1
InChIInChI=1S/C20H19ClFN3O/c1-13-5-7-14(8-6-13)20-24-23-19(26-20)12-25(15-9-10-15)11-16-17(21)3-2-4-18(16)22/h2-8,15H,9-12H2,1H3
InChIKeyCCCNCWSZBMMEGT-UHFFFAOYSA-N
MW371.84 g/mol
LogP5.00
Rot. Bonds6

About N-[(2-chloro-6-fluorophenyl)methyl]-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine

N-[(2-chloro-6-fluorophenyl)methyl]-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 33195854) has the molecular formula C20H19ClFN3O and a molecular weight of 371.84 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
PubChem CID33195854
Molecular FormulaC20H19ClFN3O
Molecular Weight371.84 g/mol
Exact Mass371.12
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESCc1ccc(-c2nnc(CN(Cc3c(F)cccc3Cl)C3CC3)o2)cc1
InChIInChI=1S/C20H19ClFN3O/c1-13-5-7-14(8-6-13)20-24-23-19(26-20)12-25(15-9-10-15)11-16-17(21)3-2-4-18(16)22/h2-8,15H,9-12H2,1H3
InChIKeyCCCNCWSZBMMEGT-UHFFFAOYSA-N
XLogP5.00
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.84
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 46533779
N-[(4-fluorophenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 86911631
N-[(2-chloro-6-fluorophenyl)methyl]-N-[(5-chlorothiadiazol-4-yl)methyl]cyclopropanamine
CID 47014143
N-[(2-chloro-6-fluorophenyl)methyl]-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 34718526
N-[4-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 55986108
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46553427
ethyl 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetate
CID 60697155
N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 60806803
2-[cyclobutyl-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]ethanol
CID 102676985
N-[(3-bromophenyl)methyl]-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 34553052
N-(2-bromoethyl)-N-[(2-chloro-6-fluorophenyl)methyl]cyclopentanamine
CID 80673133
2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(2,6-dimethylphenyl)acetamide
CID 17489433

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (CID 33195854) is N-[(2-chloro-6-fluorophenyl)methyl]-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is Cc1ccc(-c2nnc(CN(Cc3c(F)cccc3Cl)C3CC3)o2)cc1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is CCCNCWSZBMMEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O/c1-13-5-7-14(8-6-13)20-24-23-19(26-20)12-25(15-9-10-15)11-16-17(21)3-2-4-18(16)22/h2-8,15H,9-12H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
N-[(2-chloro-6-fluorophenyl)methyl]-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 371.84 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 33195854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).