2-chloro-N-[2-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]ethyl]benzamide

C25H21ClN4O3 — CID 55659481

IUPAC2-chloro-N-[2-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]ethyl]benzamide
SMILESCc1cccc(-c2nnc(-c3ccc(C(=O)NCCNC(=O)c4ccccc4Cl)cc3)o2)c1
InChIInChI=1S/C25H21ClN4O3/c1-16-5-4-6-19(15-16)25-30-29-24(33-25)18-11-9-17(10-12-18)22(31)27-13-14-28-23(32)20-7-2-3-8-21(20)26/h2-12,15H,13-14H2,1H3,(H,27,31)(H,28,32)
InChIKeyIBATWLAYIWCZQM-UHFFFAOYSA-N
MW460.92 g/mol
LogP4.53
Rot. Bonds7

About 2-chloro-N-[2-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]ethyl]benzamide

2-chloro-N-[2-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]ethyl]benzamide (PubChem CID 55659481) has the molecular formula C25H21ClN4O3 and a molecular weight of 460.92 g/mol. Its IUPAC name is 2-chloro-N-[2-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]ethyl]benzamide
PubChem CID55659481
Molecular FormulaC25H21ClN4O3
Molecular Weight460.92 g/mol
Exact Mass460.13
IUPAC Name2-chloro-N-[2-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]ethyl]benzamide
SMILESCc1cccc(-c2nnc(-c3ccc(C(=O)NCCNC(=O)c4ccccc4Cl)cc3)o2)c1
InChIInChI=1S/C25H21ClN4O3/c1-16-5-4-6-19(15-16)25-30-29-24(33-25)18-11-9-17(10-12-18)22(31)27-13-14-28-23(32)20-7-2-3-8-21(20)26/h2-12,15H,13-14H2,1H3,(H,27,31)(H,28,32)
InChIKeyIBATWLAYIWCZQM-UHFFFAOYSA-N
XLogP4.53
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.92
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319423
4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-phenoxypropyl)benzamide
CID 33048681
N-[2-(2-methoxyphenoxy)ethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 46558814
N-(3,5-dimethylphenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 30708165
N-(3-methylbutan-2-yl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43048902
N-(3-chloro-4-fluorophenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 30708774
4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 38076438
N-ethyl-N-methyl-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 134063386
N-(2-methoxyethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24605172
N-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24605190
N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55672183
2-methoxy-N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321299

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]ethyl]benzamide (CID 55659481) is 2-chloro-N-[2-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]ethyl]benzamide is Cc1cccc(-c2nnc(-c3ccc(C(=O)NCCNC(=O)c4ccccc4Cl)cc3)o2)c1.
What is the InChIKey of 2-chloro-N-[2-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]ethyl]benzamide?
The InChIKey is IBATWLAYIWCZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O3/c1-16-5-4-6-19(15-16)25-30-29-24(33-25)18-11-9-17(10-12-18)22(31)27-13-14-28-23(32)20-7-2-3-8-21(20)26/h2-12,15H,13-14H2,1H3,(H,27,31)(H,28,32).
What are the key properties of 2-chloro-N-[2-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]ethyl]benzamide?
2-chloro-N-[2-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]ethyl]benzamide has a molecular weight of 460.92 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]ethyl]benzamide is sourced from PubChem (CID 55659481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).