N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide

C21H19ClFN3O2 — CID 46533779

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESO=C(CCc1nnc(-c2ccccc2)o1)N(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C21H19ClFN3O2/c22-17-7-4-8-18(23)16(17)13-26(15-9-10-15)20(27)12-11-19-24-25-21(28-19)14-5-2-1-3-6-14/h1-8,15H,9-13H2
InChIKeyURVPWLHWXDYCJA-UHFFFAOYSA-N
MW399.85 g/mol
LogP4.65
Rot. Bonds7

About N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 46533779) has the molecular formula C21H19ClFN3O2 and a molecular weight of 399.85 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID46533779
Molecular FormulaC21H19ClFN3O2
Molecular Weight399.85 g/mol
Exact Mass399.11
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESO=C(CCc1nnc(-c2ccccc2)o1)N(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C21H19ClFN3O2/c22-17-7-4-8-18(23)16(17)13-26(15-9-10-15)20(27)12-11-19-24-25-21(28-19)14-5-2-1-3-6-14/h1-8,15H,9-13H2
InChIKeyURVPWLHWXDYCJA-UHFFFAOYSA-N
XLogP4.65
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.85
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 46533951
N-[(2-chloro-6-fluorophenyl)methyl]-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 33195854
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide
CID 107909248
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-phenylsulfanylacetamide
CID 51147007
3-[[benzyl(methyl)carbamoyl]amino]-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpropanamide
CID 56516235
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-(2-ethoxyphenoxy)butanamide
CID 55332893
3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate
CID 7130632
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(2-phenoxyethoxy)acetamide
CID 55756901
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46553427
N-[4-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 51315143
(2-chloro-6-fluorophenyl)-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 110658504
cis-(1R,3S)-3-[(2-chloro-6-fluorophenyl)methyl-cyclopropylcarbamoyl]cyclopentane-1-carboxylic acid
CID 171912650

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide (CID 46533779) is N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide is O=C(CCc1nnc(-c2ccccc2)o1)N(Cc1c(F)cccc1Cl)C1CC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is URVPWLHWXDYCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O2/c22-17-7-4-8-18(23)16(17)13-26(15-9-10-15)20(27)12-11-19-24-25-21(28-19)14-5-2-1-3-6-14/h1-8,15H,9-13H2.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 399.85 g/mol, XLogP of 4.65, 7 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-cyclopropyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 46533779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).