2-chloro-N-[(4,5-dichloro-1H-imidazol-2-yl)methyl]-N-(2,6-diethylphenyl)acetamide

C16H18Cl3N3O — CID 70614092

IUPAC2-chloro-N-[(4,5-dichloro-1H-imidazol-2-yl)methyl]-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1N(Cc1nc(Cl)c(Cl)[nH]1)C(=O)CCl
InChIInChI=1S/C16H18Cl3N3O/c1-3-10-6-5-7-11(4-2)14(10)22(13(23)8-17)9-12-20-15(18)16(19)21-12/h5-7H,3-4,8-9H2,1-2H3,(H,20,21)
InChIKeyFVQHOSLPZXDSTK-UHFFFAOYSA-N
MW374.70 g/mol
LogP4.61
Rot. Bonds6

About 2-chloro-N-[(4,5-dichloro-1H-imidazol-2-yl)methyl]-N-(2,6-diethylphenyl)acetamide

2-chloro-N-[(4,5-dichloro-1H-imidazol-2-yl)methyl]-N-(2,6-diethylphenyl)acetamide (PubChem CID 70614092) has the molecular formula C16H18Cl3N3O and a molecular weight of 374.70 g/mol. Its IUPAC name is 2-chloro-N-[(4,5-dichloro-1H-imidazol-2-yl)methyl]-N-(2,6-diethylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-[(4,5-dichloro-1H-imidazol-2-yl)methyl]-N-(2,6-diethylphenyl)acetamide
PubChem CID70614092
Molecular FormulaC16H18Cl3N3O
Molecular Weight374.70 g/mol
Exact Mass373.05
IUPAC Name2-chloro-N-[(4,5-dichloro-1H-imidazol-2-yl)methyl]-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1N(Cc1nc(Cl)c(Cl)[nH]1)C(=O)CCl
InChIInChI=1S/C16H18Cl3N3O/c1-3-10-6-5-7-11(4-2)14(10)22(13(23)8-17)9-12-20-15(18)16(19)21-12/h5-7H,3-4,8-9H2,1-2H3,(H,20,21)
InChIKeyFVQHOSLPZXDSTK-UHFFFAOYSA-N
XLogP4.61
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.70
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4,5-dichloro-1H-imidazol-2-yl)methyl]-N-(2,6-diethylphenyl)acetamide?
The IUPAC name of 2-chloro-N-[(4,5-dichloro-1H-imidazol-2-yl)methyl]-N-(2,6-diethylphenyl)acetamide (CID 70614092) is 2-chloro-N-[(4,5-dichloro-1H-imidazol-2-yl)methyl]-N-(2,6-diethylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-[(4,5-dichloro-1H-imidazol-2-yl)methyl]-N-(2,6-diethylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-[(4,5-dichloro-1H-imidazol-2-yl)methyl]-N-(2,6-diethylphenyl)acetamide is CCc1cccc(CC)c1N(Cc1nc(Cl)c(Cl)[nH]1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-[(4,5-dichloro-1H-imidazol-2-yl)methyl]-N-(2,6-diethylphenyl)acetamide?
The InChIKey is FVQHOSLPZXDSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl3N3O/c1-3-10-6-5-7-11(4-2)14(10)22(13(23)8-17)9-12-20-15(18)16(19)21-12/h5-7H,3-4,8-9H2,1-2H3,(H,20,21).
What are the key properties of 2-chloro-N-[(4,5-dichloro-1H-imidazol-2-yl)methyl]-N-(2,6-diethylphenyl)acetamide?
2-chloro-N-[(4,5-dichloro-1H-imidazol-2-yl)methyl]-N-(2,6-diethylphenyl)acetamide has a molecular weight of 374.70 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4,5-dichloro-1H-imidazol-2-yl)methyl]-N-(2,6-diethylphenyl)acetamide is sourced from PubChem (CID 70614092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).