4-chloro-N-[4-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]benzamide

C24H20ClFN4O2 — CID 60583020

IUPAC4-chloro-N-[4-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]benzamide
SMILESCc1ccc(-c2noc(C(C)Nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)n2)cc1F
InChIInChI=1S/C24H20ClFN4O2/c1-14-3-4-17(13-21(14)26)22-29-24(32-30-22)15(2)27-19-9-11-20(12-10-19)28-23(31)16-5-7-18(25)8-6-16/h3-13,15,27H,1-2H3,(H,28,31)
InChIKeyRPGXDNFOHDDPJH-UHFFFAOYSA-N
MW450.90 g/mol
LogP6.26
Rot. Bonds6

About 4-chloro-N-[4-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]benzamide

4-chloro-N-[4-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]benzamide (PubChem CID 60583020) has the molecular formula C24H20ClFN4O2 and a molecular weight of 450.90 g/mol. Its IUPAC name is 4-chloro-N-[4-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]benzamide
PubChem CID60583020
Molecular FormulaC24H20ClFN4O2
Molecular Weight450.90 g/mol
Exact Mass450.13
IUPAC Name4-chloro-N-[4-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]benzamide
SMILESCc1ccc(-c2noc(C(C)Nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)n2)cc1F
InChIInChI=1S/C24H20ClFN4O2/c1-14-3-4-17(13-21(14)26)22-29-24(32-30-22)15(2)27-19-9-11-20(12-10-19)28-23(31)16-5-7-18(25)8-6-16/h3-13,15,27H,1-2H3,(H,28,31)
InChIKeyRPGXDNFOHDDPJH-UHFFFAOYSA-N
XLogP6.26
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.90
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[4-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[4-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]carbamate
CID 60542241
4-chloro-N-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]benzamide
CID 47485656
4-chloro-N-[4-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]benzamide
CID 60582852
4-chloro-N-[4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]amino]phenyl]benzamide
CID 47485721
N-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,5-difluorobenzamide
CID 95782686
N-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propylpyrazol-4-amine
CID 139004142
4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 60546123
1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl 6-chloropyridine-3-carboxylate
CID 55546930
1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 71756178
[3-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]methanol
CID 110900364
4-fluoro-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101349
1-[5-[[(1R)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-2,3-dihydroindol-1-yl]ethanone
CID 99581424

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]benzamide (CID 60583020) is 4-chloro-N-[4-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]benzamide is Cc1ccc(-c2noc(C(C)Nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)n2)cc1F.
What is the InChIKey of 4-chloro-N-[4-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]benzamide?
The InChIKey is RPGXDNFOHDDPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O2/c1-14-3-4-17(13-21(14)26)22-29-24(32-30-22)15(2)27-19-9-11-20(12-10-19)28-23(31)16-5-7-18(25)8-6-16/h3-13,15,27H,1-2H3,(H,28,31).
What are the key properties of 4-chloro-N-[4-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]benzamide?
4-chloro-N-[4-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]benzamide has a molecular weight of 450.90 g/mol, XLogP of 6.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]benzamide is sourced from PubChem (CID 60583020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).