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

C24H21ClN4O2 — CID 55542467

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3cc(Cl)ccc3N(C)C)cc2)o1
InChIInChI=1S/C24H21ClN4O2/c1-15-6-4-5-7-19(15)24-28-27-23(31-24)17-10-8-16(9-11-17)22(30)26-20-14-18(25)12-13-21(20)29(2)3/h4-14H,1-3H3,(H,26,30)
InChIKeyYBLQCPIXBXDLRK-UHFFFAOYSA-N
MW432.91 g/mol
LogP5.68
Rot. Bonds5

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

N-[5-chloro-2-(dimethylamino)phenyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 55542467) has the molecular formula C24H21ClN4O2 and a molecular weight of 432.91 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID55542467
Molecular FormulaC24H21ClN4O2
Molecular Weight432.91 g/mol
Exact Mass432.14
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3cc(Cl)ccc3N(C)C)cc2)o1
InChIInChI=1S/C24H21ClN4O2/c1-15-6-4-5-7-19(15)24-28-27-23(31-24)17-10-8-16(9-11-17)22(30)26-20-14-18(25)12-13-21(20)29(2)3/h4-14H,1-3H3,(H,26,30)
InChIKeyYBLQCPIXBXDLRK-UHFFFAOYSA-N
XLogP5.68
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.91
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41466869
N-(3-benzamidophenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55797169
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-4-carboxamide
CID 170458737
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 24676925
2-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide
CID 56517932
4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 55336483
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methylsulfanylphenyl)benzamide
CID 24608389
4-chloro-N-[4-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 170458785
3-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 41479452
4-chloro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 2799994
N-[5-chloro-2-(dimethylamino)phenyl]-3-methylbenzamide
CID 55336201
4-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 43710258

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 55542467) is N-[5-chloro-2-(dimethylamino)phenyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is Cc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3cc(Cl)ccc3N(C)C)cc2)o1.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is YBLQCPIXBXDLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2/c1-15-6-4-5-7-19(15)24-28-27-23(31-24)17-10-8-16(9-11-17)22(30)26-20-14-18(25)12-13-21(20)29(2)3/h4-14H,1-3H3,(H,26,30).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
N-[5-chloro-2-(dimethylamino)phenyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 432.91 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 55542467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).