2-chloro-4-fluoro-N-[3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxopropyl]benzamide

C22H22ClFN4O3 — CID 56568469

IUPAC2-chloro-4-fluoro-N-[3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxopropyl]benzamide
SMILESCc1cccc(-c2nc(C(C)C)no2)c1NC(=O)CCNC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C22H22ClFN4O3/c1-12(2)20-27-22(31-28-20)16-6-4-5-13(3)19(16)26-18(29)9-10-25-21(30)15-8-7-14(24)11-17(15)23/h4-8,11-12H,9-10H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyZNVNMYPETWWFGZ-UHFFFAOYSA-N
MW444.89 g/mol
LogP4.72
Rot. Bonds7

About 2-chloro-4-fluoro-N-[3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxopropyl]benzamide

2-chloro-4-fluoro-N-[3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxopropyl]benzamide (PubChem CID 56568469) has the molecular formula C22H22ClFN4O3 and a molecular weight of 444.89 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxopropyl]benzamide
PubChem CID56568469
Molecular FormulaC22H22ClFN4O3
Molecular Weight444.89 g/mol
Exact Mass444.14
IUPAC Name2-chloro-4-fluoro-N-[3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxopropyl]benzamide
SMILESCc1cccc(-c2nc(C(C)C)no2)c1NC(=O)CCNC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C22H22ClFN4O3/c1-12(2)20-27-22(31-28-20)16-6-4-5-13(3)19(16)26-18(29)9-10-25-21(30)15-8-7-14(24)11-17(15)23/h4-8,11-12H,9-10H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyZNVNMYPETWWFGZ-UHFFFAOYSA-N
XLogP4.72
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.89
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-fluoro-N-[3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxopropyl]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

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 56568562
2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide
CID 55753021
1-tert-butyl-5-cyclopropyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxamide
CID 56568236
N-(4-fluoro-2-methylphenyl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 53143832
N-(2-amino-6-methylphenyl)-2-chloro-4-fluorobenzamide
CID 43330061
2-chloro-N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]-4-fluorobenzamide
CID 55759108
1-(2-methylphenyl)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 56568622
N-(2,5-dimethylphenyl)-2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745776
2-chloro-4-fluoro-N-[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-oxopropyl]benzamide
CID 49353575
N-(3-aminobutyl)-2-chloro-4-fluorobenzamide
CID 63254096
N-(3-amino-3-sulfanylidenepropyl)-2-chloro-4-fluorobenzamide
CID 62666116
2-chloro-N-[3-[(2-ethyl-2-hydroxybutyl)amino]-3-oxopropyl]-4-fluorobenzamide
CID 111483229

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxopropyl]benzamide (CID 56568469) is 2-chloro-4-fluoro-N-[3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxopropyl]benzamide is Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)CCNC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxopropyl]benzamide?
The InChIKey is ZNVNMYPETWWFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN4O3/c1-12(2)20-27-22(31-28-20)16-6-4-5-13(3)19(16)26-18(29)9-10-25-21(30)15-8-7-14(24)11-17(15)23/h4-8,11-12H,9-10H2,1-3H3,(H,25,30)(H,26,29).
What are the key properties of 2-chloro-4-fluoro-N-[3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxopropyl]benzamide?
2-chloro-4-fluoro-N-[3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxopropyl]benzamide has a molecular weight of 444.89 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxopropyl]benzamide is sourced from PubChem (CID 56568469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).