N'-[(3,4-dichlorophenyl)methyl]-N'-methyloxamide

C10H10Cl2N2O2 — CID 115192019

IUPACN'-[(3,4-dichlorophenyl)methyl]-N'-methyloxamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(N)=O
InChIInChI=1S/C10H10Cl2N2O2/c1-14(10(16)9(13)15)5-6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3,(H2,13,15)
InChIKeyKKQWKMGVOWIYMJ-UHFFFAOYSA-N
MW261.11 g/mol
LogP1.44
Rot. Bonds2

About N'-[(3,4-dichlorophenyl)methyl]-N'-methyloxamide

N'-[(3,4-dichlorophenyl)methyl]-N'-methyloxamide (PubChem CID 115192019) has the molecular formula C10H10Cl2N2O2 and a molecular weight of 261.11 g/mol. Its IUPAC name is N'-[(3,4-dichlorophenyl)methyl]-N'-methyloxamide.

Molecular Properties

Compound NameN'-[(3,4-dichlorophenyl)methyl]-N'-methyloxamide
PubChem CID115192019
Molecular FormulaC10H10Cl2N2O2
Molecular Weight261.11 g/mol
Exact Mass260.01
IUPAC NameN'-[(3,4-dichlorophenyl)methyl]-N'-methyloxamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(N)=O
InChIInChI=1S/C10H10Cl2N2O2/c1-14(10(16)9(13)15)5-6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3,(H2,13,15)
InChIKeyKKQWKMGVOWIYMJ-UHFFFAOYSA-N
XLogP1.44
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3,4-dichlorophenyl)methyl-methylcarbamothioyl]azanium
CID 137163213
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide
CID 43167904
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2,2,3-tetramethylbutanamide
CID 65269415
(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929088
5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 103601901
4-(carbamoylamino)-N-[(3,4-dichlorophenyl)methyl]-N-methylbenzamide
CID 26069791
(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylpentanamide
CID 93367571
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide
CID 61174614
N'-[(4-tert-butylphenyl)methyl]-N'-methyloxamide
CID 115191922
3-[(3,4-dichlorophenyl)methyl-methylamino]propanethioamide
CID 29009744
2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide;hydrochloride
CID 119683628
2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride
CID 120983504

Frequently Asked Questions

What is the IUPAC name of N'-[(3,4-dichlorophenyl)methyl]-N'-methyloxamide?
The IUPAC name of N'-[(3,4-dichlorophenyl)methyl]-N'-methyloxamide (CID 115192019) is N'-[(3,4-dichlorophenyl)methyl]-N'-methyloxamide.
What is the SMILES notation for N'-[(3,4-dichlorophenyl)methyl]-N'-methyloxamide?
The canonical SMILES for N'-[(3,4-dichlorophenyl)methyl]-N'-methyloxamide is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(N)=O.
What is the InChIKey of N'-[(3,4-dichlorophenyl)methyl]-N'-methyloxamide?
The InChIKey is KKQWKMGVOWIYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O2/c1-14(10(16)9(13)15)5-6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3,(H2,13,15).
What are the key properties of N'-[(3,4-dichlorophenyl)methyl]-N'-methyloxamide?
N'-[(3,4-dichlorophenyl)methyl]-N'-methyloxamide has a molecular weight of 261.11 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,4-dichlorophenyl)methyl]-N'-methyloxamide is sourced from PubChem (CID 115192019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).