N-[(2,4-dichlorophenyl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide

C13H13Cl2NO — CID 167972061

IUPACN-[(2,4-dichlorophenyl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide
SMILESCN(Cc1ccc(Cl)cc1Cl)C(=O)C12CC1C2
InChIInChI=1S/C13H13Cl2NO/c1-16(12(17)13-5-9(13)6-13)7-8-2-3-10(14)4-11(8)15/h2-4,9H,5-7H2,1H3
InChIKeyBBQKDDORVUHVSL-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.36
Rot. Bonds3

About N-[(2,4-dichlorophenyl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide

N-[(2,4-dichlorophenyl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide (PubChem CID 167972061) has the molecular formula C13H13Cl2NO and a molecular weight of 270.16 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide
PubChem CID167972061
Molecular FormulaC13H13Cl2NO
Molecular Weight270.16 g/mol
Exact Mass269.04
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide
SMILESCN(Cc1ccc(Cl)cc1Cl)C(=O)C12CC1C2
InChIInChI=1S/C13H13Cl2NO/c1-16(12(17)13-5-9(13)6-13)7-8-2-3-10(14)4-11(8)15/h2-4,9H,5-7H2,1H3
InChIKeyBBQKDDORVUHVSL-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
N-[(2,4-dichlorophenyl)methyl]-N,2-dimethyl-2-(methylamino)propanamide
CID 62847986
4-(aminomethyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79510878
(2R)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93369186
1-[(2,4-dichlorophenyl)methyl]-1-methylhydrazine
CID 82282939
3,5-diamino-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide
CID 61117248
2-(4-aminophenyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 60939480
2-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbutanamide
CID 79805049
N-[(2,4-dichlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide
CID 103732013
3-cyano-N-[(2,4-dichlorophenyl)methyl]-N-methylpropanamide
CID 94697067
N-[(2,4-dichlorophenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide
CID 107067660
2-[(2,4-dichlorophenyl)methyl-methylamino]propanoic acid
CID 62638137

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide (CID 167972061) is N-[(2,4-dichlorophenyl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide is CN(Cc1ccc(Cl)cc1Cl)C(=O)C12CC1C2.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide?
The InChIKey is BBQKDDORVUHVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO/c1-16(12(17)13-5-9(13)6-13)7-8-2-3-10(14)4-11(8)15/h2-4,9H,5-7H2,1H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide has a molecular weight of 270.16 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide is sourced from PubChem (CID 167972061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).