N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

C25H23ClN4O2 — CID 42033058

IUPACN-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCN(C)[C@@H](CNC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1Cl
InChIInChI=1S/C25H23ClN4O2/c1-30(2)22(20-10-6-7-11-21(20)26)16-27-23(31)17-12-14-19(15-13-17)25-29-28-24(32-25)18-8-4-3-5-9-18/h3-15,22H,16H2,1-2H3,(H,27,31)/t22-/m0/s1
InChIKeyBGBAYYPOMIRUOG-QFIPXVFZSA-N
MW446.94 g/mol
LogP5.09
Rot. Bonds7

About N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 42033058) has the molecular formula C25H23ClN4O2 and a molecular weight of 446.94 g/mol. Its IUPAC name is N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID42033058
Molecular FormulaC25H23ClN4O2
Molecular Weight446.94 g/mol
Exact Mass446.15
IUPAC NameN-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCN(C)[C@@H](CNC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1Cl
InChIInChI=1S/C25H23ClN4O2/c1-30(2)22(20-10-6-7-11-21(20)26)16-27-23(31)17-12-14-19(15-13-17)25-29-28-24(32-25)18-8-4-3-5-9-18/h3-15,22H,16H2,1-2H3,(H,27,31)/t22-/m0/s1
InChIKeyBGBAYYPOMIRUOG-QFIPXVFZSA-N
XLogP5.09
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.94
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(carbamoylamino)methyl]-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 31363572
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-methylpyridine-3-carboxamide
CID 43044703
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110302779
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110622059
3-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 30827387
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-imidazol-1-ylbenzamide
CID 42945317
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 167869393
N-[2-(N-methylanilino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24607474
N-[2-[di(propan-2-yl)amino]ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 17480200
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-hydroxybenzamide
CID 51866833
N-(2-methoxyethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24605172
4-bromo-N-[3-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-3-oxopropyl]benzamide
CID 43003283

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (CID 42033058) is N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is CN(C)[C@@H](CNC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1Cl.
What is the InChIKey of N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is BGBAYYPOMIRUOG-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H23ClN4O2/c1-30(2)22(20-10-6-7-11-21(20)26)16-27-23(31)17-12-14-19(15-13-17)25-29-28-24(32-25)18-8-4-3-5-9-18/h3-15,22H,16H2,1-2H3,(H,27,31)/t22-/m0/s1.
What are the key properties of N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 446.94 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 42033058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).