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

C18H17FN4O2 — CID 47064163

IUPACN-[(2-fluorophenyl)methyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
SMILESCc1noc(CNc2ccc(C(=O)NCc3ccccc3F)cc2)n1
InChIInChI=1S/C18H17FN4O2/c1-12-22-17(25-23-12)11-20-15-8-6-13(7-9-15)18(24)21-10-14-4-2-3-5-16(14)19/h2-9,20H,10-11H2,1H3,(H,21,24)
InChIKeyRPNFLOPKGWBDOR-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.06
Rot. Bonds6

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

N-[(2-fluorophenyl)methyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide (PubChem CID 47064163) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
PubChem CID47064163
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC NameN-[(2-fluorophenyl)methyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
SMILESCc1noc(CNc2ccc(C(=O)NCc3ccccc3F)cc2)n1
InChIInChI=1S/C18H17FN4O2/c1-12-22-17(25-23-12)11-20-15-8-6-13(7-9-15)18(24)21-10-14-4-2-3-5-16(14)19/h2-9,20H,10-11H2,1H3,(H,21,24)
InChIKeyRPNFLOPKGWBDOR-UHFFFAOYSA-N
XLogP3.06
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-[(2-fluorophenyl)methyl]benzamide
CID 51121696
1-[(2-fluorophenyl)methyl]-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine
CID 111265153
methyl 2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetate
CID 47064166
1-N-[(2-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047183
4-[(2-fluorophenyl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 43742171
3-amino-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 61139818
4-[(2-fluorophenyl)methylamino]-N-(3-hydroxypropyl)benzamide
CID 111601526
4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 48847731
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
2-fluoro-6-hydroxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 104917845
2-fluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzoic acid
CID 113319755
4-[(2-fluorophenyl)methylamino]-N-prop-2-enylbenzamide
CID 60931867

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide (CID 47064163) is N-[(2-fluorophenyl)methyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide is Cc1noc(CNc2ccc(C(=O)NCc3ccccc3F)cc2)n1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide?
The InChIKey is RPNFLOPKGWBDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-12-22-17(25-23-12)11-20-15-8-6-13(7-9-15)18(24)21-10-14-4-2-3-5-16(14)19/h2-9,20H,10-11H2,1H3,(H,21,24).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide?
N-[(2-fluorophenyl)methyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide has a molecular weight of 340.36 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide is sourced from PubChem (CID 47064163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).