N-(2-aminophenyl)-4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide

C23H20ClN5O2 — CID 118735150

IUPACN-(2-aminophenyl)-4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CNCc2nc(-c3ccc(Cl)cc3)no2)cc1
InChIInChI=1S/C23H20ClN5O2/c24-18-11-9-16(10-12-18)22-28-21(31-29-22)14-26-13-15-5-7-17(8-6-15)23(30)27-20-4-2-1-3-19(20)25/h1-12,26H,13-14,25H2,(H,27,30)
InChIKeyCQHWRSUFZNEJSA-UHFFFAOYSA-N
MW433.90 g/mol
LogP4.51
Rot. Bonds7

About N-(2-aminophenyl)-4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide

N-(2-aminophenyl)-4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide (PubChem CID 118735150) has the molecular formula C23H20ClN5O2 and a molecular weight of 433.90 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide
PubChem CID118735150
Molecular FormulaC23H20ClN5O2
Molecular Weight433.90 g/mol
Exact Mass433.13
IUPAC NameN-(2-aminophenyl)-4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CNCc2nc(-c3ccc(Cl)cc3)no2)cc1
InChIInChI=1S/C23H20ClN5O2/c24-18-11-9-16(10-12-18)22-28-21(31-29-22)14-26-13-15-5-7-17(8-6-15)23(30)27-20-4-2-1-3-19(20)25/h1-12,26H,13-14,25H2,(H,27,30)
InChIKeyCQHWRSUFZNEJSA-UHFFFAOYSA-N
XLogP4.51
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-aminophenyl)-4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]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

N-(2-aminophenyl)-4-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]methyl]benzamide
CID 22478674
N-hydroxy-4-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide
CID 46190553
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)acetamide
CID 2997200
2-chloro-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 4897476
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]naphthalene-2-carboxamide
CID 8836688
3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]propanoic acid
CID 43466352
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 83289940
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 62535165
4-[5-[(pyridin-4-ylmethylamino)methyl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 56751844
3,4-dichloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 2797889
N-[4-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]pyridine-2-carboxamide
CID 122176663

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide (CID 118735150) is N-(2-aminophenyl)-4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide is Nc1ccccc1NC(=O)c1ccc(CNCc2nc(-c3ccc(Cl)cc3)no2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide?
The InChIKey is CQHWRSUFZNEJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O2/c24-18-11-9-16(10-12-18)22-28-21(31-29-22)14-26-13-15-5-7-17(8-6-15)23(30)27-20-4-2-1-3-19(20)25/h1-12,26H,13-14,25H2,(H,27,30).
What are the key properties of N-(2-aminophenyl)-4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide?
N-(2-aminophenyl)-4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide has a molecular weight of 433.90 g/mol, XLogP of 4.51, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide is sourced from PubChem (CID 118735150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).