N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide

C19H17F2N3O2 — CID 134052946

IUPACN-[1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1noc(-c2ccc(C(=O)N(C)C(C)c3ccc(F)c(F)c3)cc2)n1
InChIInChI=1S/C19H17F2N3O2/c1-11(15-8-9-16(20)17(21)10-15)24(3)19(25)14-6-4-13(5-7-14)18-22-12(2)23-26-18/h4-11H,1-3H3
InChIKeyIKRHHJJCEZCWRG-UHFFFAOYSA-N
MW357.36 g/mol
LogP4.16
Rot. Bonds4

About N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide

N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 134052946) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID134052946
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1noc(-c2ccc(C(=O)N(C)C(C)c3ccc(F)c(F)c3)cc2)n1
InChIInChI=1S/C19H17F2N3O2/c1-11(15-8-9-16(20)17(21)10-15)24(3)19(25)14-6-4-13(5-7-14)18-22-12(2)23-26-18/h4-11H,1-3H3
InChIKeyIKRHHJJCEZCWRG-UHFFFAOYSA-N
XLogP4.16
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 55509545
2-chloro-N-[1-(3,4-difluorophenyl)ethyl]-N-methylquinoline-6-carboxamide
CID 55731326
N-[1-(3,4-difluorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 46513201
6-bromo-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 103874208
N-[1-(3,4-difluorophenyl)ethyl]-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78836838
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 55594677
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80625425
N-[2-[1-(3,4-difluorophenyl)ethyl-methylamino]-2-oxoethyl]-4-phenylbenzamide
CID 55509696
5-[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylcarbamoyl]furan-2-carboxylic acid
CID 99851696
5-[[(1S)-1-(3,4-difluorophenyl)ethyl]-methylcarbamoyl]furan-2-carboxylic acid
CID 99851695
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide
CID 60952393
4-chloro-N-[4-[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylamino]-4-oxobutyl]benzamide
CID 31350252

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (CID 134052946) is N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is Cc1noc(-c2ccc(C(=O)N(C)C(C)c3ccc(F)c(F)c3)cc2)n1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is IKRHHJJCEZCWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c1-11(15-8-9-16(20)17(21)10-15)24(3)19(25)14-6-4-13(5-7-14)18-22-12(2)23-26-18/h4-11H,1-3H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 357.36 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 134052946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).