N-[(2,3-dichlorophenyl)methyl]-N-methylimidazole-1-carboxamide

C12H11Cl2N3O — CID 112722736

IUPACN-[(2,3-dichlorophenyl)methyl]-N-methylimidazole-1-carboxamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)n1ccnc1
InChIInChI=1S/C12H11Cl2N3O/c1-16(12(18)17-6-5-15-8-17)7-9-3-2-4-10(13)11(9)14/h2-6,8H,7H2,1H3
InChIKeyAAXOZOQTXSWLGG-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.29
Rot. Bonds2

About N-[(2,3-dichlorophenyl)methyl]-N-methylimidazole-1-carboxamide

N-[(2,3-dichlorophenyl)methyl]-N-methylimidazole-1-carboxamide (PubChem CID 112722736) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-N-methylimidazole-1-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-N-methylimidazole-1-carboxamide
PubChem CID112722736
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-N-methylimidazole-1-carboxamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)n1ccnc1
InChIInChI=1S/C12H11Cl2N3O/c1-16(12(18)17-6-5-15-8-17)7-9-3-2-4-10(13)11(9)14/h2-6,8H,7H2,1H3
InChIKeyAAXOZOQTXSWLGG-UHFFFAOYSA-N
XLogP3.29
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896
methyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate
CID 155660592
N-methyl-N-(thiophen-3-ylmethyl)imidazole-1-carboxamide
CID 112723515
N-[(2,3-dichlorophenyl)methyl]-2,2-difluoro-N-methylacetamide
CID 103600531
N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158
N-methyl-N-propylimidazole-1-carboxamide
CID 78983424
2-(3-amino-1,2,4-triazol-1-yl)-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide
CID 61113902
N-[(2,3-dichlorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 115645448
N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 55328818
N-[(4-ethoxyphenyl)methyl]-N-methylimidazole-1-carboxamide
CID 112722731
propyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate
CID 155660588
N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 79196121

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N-methylimidazole-1-carboxamide?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N-methylimidazole-1-carboxamide (CID 112722736) is N-[(2,3-dichlorophenyl)methyl]-N-methylimidazole-1-carboxamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-N-methylimidazole-1-carboxamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-N-methylimidazole-1-carboxamide is CN(Cc1cccc(Cl)c1Cl)C(=O)n1ccnc1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-N-methylimidazole-1-carboxamide?
The InChIKey is AAXOZOQTXSWLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-16(12(18)17-6-5-15-8-17)7-9-3-2-4-10(13)11(9)14/h2-6,8H,7H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-N-methylimidazole-1-carboxamide?
N-[(2,3-dichlorophenyl)methyl]-N-methylimidazole-1-carboxamide has a molecular weight of 284.15 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-N-methylimidazole-1-carboxamide is sourced from PubChem (CID 112722736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).