N-(3,4-dichlorophenyl)-2-[methyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]amino]acetamide

C20H20Cl2N4O2 — CID 8551917

IUPACN-(3,4-dichlorophenyl)-2-[methyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]amino]acetamide
SMILESCN(CCCc1nc(-c2ccccc2)no1)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H20Cl2N4O2/c1-26(13-18(27)23-15-9-10-16(21)17(22)12-15)11-5-8-19-24-20(25-28-19)14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3,(H,23,27)
InChIKeyIPVPZFCFRJCVAC-UHFFFAOYSA-N
MW419.31 g/mol
LogP4.55
Rot. Bonds8

About N-(3,4-dichlorophenyl)-2-[methyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]amino]acetamide

N-(3,4-dichlorophenyl)-2-[methyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]amino]acetamide (PubChem CID 8551917) has the molecular formula C20H20Cl2N4O2 and a molecular weight of 419.31 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[methyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]amino]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[methyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]amino]acetamide
PubChem CID8551917
Molecular FormulaC20H20Cl2N4O2
Molecular Weight419.31 g/mol
Exact Mass418.10
IUPAC NameN-(3,4-dichlorophenyl)-2-[methyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]amino]acetamide
SMILESCN(CCCc1nc(-c2ccccc2)no1)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H20Cl2N4O2/c1-26(13-18(27)23-15-9-10-16(21)17(22)12-15)11-5-8-19-24-20(25-28-19)14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3,(H,23,27)
InChIKeyIPVPZFCFRJCVAC-UHFFFAOYSA-N
XLogP4.55
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dichlorophenyl)-2-[methyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]amino]acetamide 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-(3,4-dichloroanilino)-2-oxoethyl]-methyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]azanium
CID 8551916
3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60704303
N-[4-(dimethylamino)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 110330622
N-naphthalen-2-yl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9191876
2-[3-cyanopropyl(methyl)amino]-N-(3,4-dichlorophenyl)acetamide
CID 17415308
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
CID 17101498
N-(4-chlorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762340
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-phenylphenyl)propanamide
CID 9192093
3,4-dichloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 112771036
N-[2-(3-chloroanilino)-2-oxoethyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide
CID 55690826
N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 18198217
2-chloro-N-phenyl-5-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 86954732

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[methyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]amino]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[methyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]amino]acetamide (CID 8551917) is N-(3,4-dichlorophenyl)-2-[methyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]amino]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[methyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]amino]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[methyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]amino]acetamide is CN(CCCc1nc(-c2ccccc2)no1)CC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[methyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]amino]acetamide?
The InChIKey is IPVPZFCFRJCVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O2/c1-26(13-18(27)23-15-9-10-16(21)17(22)12-15)11-5-8-19-24-20(25-28-19)14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3,(H,23,27).
What are the key properties of N-(3,4-dichlorophenyl)-2-[methyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]amino]acetamide?
N-(3,4-dichlorophenyl)-2-[methyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]amino]acetamide has a molecular weight of 419.31 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[methyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]amino]acetamide is sourced from PubChem (CID 8551917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).