2,2-dichloro-N-(2-methylphenyl)-N-(1,3,4-oxadiazol-2-ylmethyl)acetamide

C12H11Cl2N3O2 — CID 70568179

IUPAC2,2-dichloro-N-(2-methylphenyl)-N-(1,3,4-oxadiazol-2-ylmethyl)acetamide
SMILESCc1ccccc1N(Cc1nnco1)C(=O)C(Cl)Cl
InChIInChI=1S/C12H11Cl2N3O2/c1-8-4-2-3-5-9(8)17(12(18)11(13)14)6-10-16-15-7-19-10/h2-5,7,11H,6H2,1H3
InChIKeyOZHKYIAZRLCHTO-UHFFFAOYSA-N
MW300.14 g/mol
LogP2.71
Rot. Bonds4

About 2,2-dichloro-N-(2-methylphenyl)-N-(1,3,4-oxadiazol-2-ylmethyl)acetamide

2,2-dichloro-N-(2-methylphenyl)-N-(1,3,4-oxadiazol-2-ylmethyl)acetamide (PubChem CID 70568179) has the molecular formula C12H11Cl2N3O2 and a molecular weight of 300.14 g/mol. Its IUPAC name is 2,2-dichloro-N-(2-methylphenyl)-N-(1,3,4-oxadiazol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-(2-methylphenyl)-N-(1,3,4-oxadiazol-2-ylmethyl)acetamide
PubChem CID70568179
Molecular FormulaC12H11Cl2N3O2
Molecular Weight300.14 g/mol
Exact Mass299.02
IUPAC Name2,2-dichloro-N-(2-methylphenyl)-N-(1,3,4-oxadiazol-2-ylmethyl)acetamide
SMILESCc1ccccc1N(Cc1nnco1)C(=O)C(Cl)Cl
InChIInChI=1S/C12H11Cl2N3O2/c1-8-4-2-3-5-9(8)17(12(18)11(13)14)6-10-16-15-7-19-10/h2-5,7,11H,6H2,1H3
InChIKeyOZHKYIAZRLCHTO-UHFFFAOYSA-N
XLogP2.71
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-N-ethyl-N-(2-methylphenyl)acetamide
CID 3338024
2-chloro-N-(2-methylphenyl)-N-[[5-(trichloromethyl)-1,3,4-oxadiazol-2-yl]methyl]butanamide
CID 70573315
2-chloro-N-(2-methylphenyl)-N-[(5-propyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
CID 70567845
2-chloro-N-(2-methylphenyl)-N-(1,3,4-thiadiazol-2-ylmethyl)propanamide
CID 70569088
2-chloro-N-(2-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide
CID 70449024
2-chloro-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methylphenyl)butanamide
CID 70575641
2-chloro-N-(2-methylphenyl)-N-[[5-(trichloromethyl)-1,3,4-thiadiazol-2-yl]methyl]propanamide
CID 70568326
2-chloro-N-[(5-methoxy-4-methyl-1,2,4-triazol-3-yl)methyl]-N-(2-methylphenyl)butanamide
CID 70576113
N-ethyl-2,2-difluoro-N-(2-methylphenyl)acetamide
CID 103515266
N-[[chloro-bis(trimethylsilyl)silyl]methyl]-N-(2-methylphenyl)acetamide
CID 139926884
2-chloro-N-(2-methylphenyl)-N-(pyrazol-1-ylmethyl)propanamide
CID 19805763
2-chloro-2-methoxy-N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide
CID 70513677

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(2-methylphenyl)-N-(1,3,4-oxadiazol-2-ylmethyl)acetamide?
The IUPAC name of 2,2-dichloro-N-(2-methylphenyl)-N-(1,3,4-oxadiazol-2-ylmethyl)acetamide (CID 70568179) is 2,2-dichloro-N-(2-methylphenyl)-N-(1,3,4-oxadiazol-2-ylmethyl)acetamide.
What is the SMILES notation for 2,2-dichloro-N-(2-methylphenyl)-N-(1,3,4-oxadiazol-2-ylmethyl)acetamide?
The canonical SMILES for 2,2-dichloro-N-(2-methylphenyl)-N-(1,3,4-oxadiazol-2-ylmethyl)acetamide is Cc1ccccc1N(Cc1nnco1)C(=O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(2-methylphenyl)-N-(1,3,4-oxadiazol-2-ylmethyl)acetamide?
The InChIKey is OZHKYIAZRLCHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2/c1-8-4-2-3-5-9(8)17(12(18)11(13)14)6-10-16-15-7-19-10/h2-5,7,11H,6H2,1H3.
What are the key properties of 2,2-dichloro-N-(2-methylphenyl)-N-(1,3,4-oxadiazol-2-ylmethyl)acetamide?
2,2-dichloro-N-(2-methylphenyl)-N-(1,3,4-oxadiazol-2-ylmethyl)acetamide has a molecular weight of 300.14 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(2-methylphenyl)-N-(1,3,4-oxadiazol-2-ylmethyl)acetamide is sourced from PubChem (CID 70568179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).