N,N'-bis[(2-chloro-4-fluorophenyl)methyl]-N,N'-dimethyloxamide

C18H16Cl2F2N2O2 — CID 166179956

IUPACN,N'-bis[(2-chloro-4-fluorophenyl)methyl]-N,N'-dimethyloxamide
SMILESCN(Cc1ccc(F)cc1Cl)C(=O)C(=O)N(C)Cc1ccc(F)cc1Cl
InChIInChI=1S/C18H16Cl2F2N2O2/c1-23(9-11-3-5-13(21)7-15(11)19)17(25)18(26)24(2)10-12-4-6-14(22)8-16(12)20/h3-8H,9-10H2,1-2H3
InChIKeyKNNXIXNHCUAKNV-UHFFFAOYSA-N
MW401.24 g/mol
LogP3.89
Rot. Bonds4

About N,N'-bis[(2-chloro-4-fluorophenyl)methyl]-N,N'-dimethyloxamide

N,N'-bis[(2-chloro-4-fluorophenyl)methyl]-N,N'-dimethyloxamide (PubChem CID 166179956) has the molecular formula C18H16Cl2F2N2O2 and a molecular weight of 401.24 g/mol. Its IUPAC name is N,N'-bis[(2-chloro-4-fluorophenyl)methyl]-N,N'-dimethyloxamide.

Molecular Properties

Compound NameN,N'-bis[(2-chloro-4-fluorophenyl)methyl]-N,N'-dimethyloxamide
PubChem CID166179956
Molecular FormulaC18H16Cl2F2N2O2
Molecular Weight401.24 g/mol
Exact Mass400.06
IUPAC NameN,N'-bis[(2-chloro-4-fluorophenyl)methyl]-N,N'-dimethyloxamide
SMILESCN(Cc1ccc(F)cc1Cl)C(=O)C(=O)N(C)Cc1ccc(F)cc1Cl
InChIInChI=1S/C18H16Cl2F2N2O2/c1-23(9-11-3-5-13(21)7-15(11)19)17(25)18(26)24(2)10-12-4-6-14(22)8-16(12)20/h3-8H,9-10H2,1-2H3
InChIKeyKNNXIXNHCUAKNV-UHFFFAOYSA-N
XLogP3.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.24
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 119320659
2-(2-chloro-4-fluorophenyl)-N,N-dimethylacetamide
CID 126789693
1-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 86779775
1-(2-chloro-4-fluorophenyl)-3-(dimethylamino)-3-methylbutan-2-one
CID 79047987
4-[(2-chloro-4-fluorophenyl)methyl-methylamino]butan-2-ol
CID 115665893
trans-(1S,3S)-3-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 124685000
N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
2-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78768857
5-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylpentan-1-amine
CID 107204812
3-amino-4-[(2-chloro-4-fluorophenyl)methyl-methylamino]benzoic acid
CID 63117529
N-[(2-chlorophenyl)methyl]-5-fluoro-2-hydroxy-N-methylbenzamide
CID 79532591
1-[2-[(2-chloro-4-fluorophenyl)methyl-methylamino]ethyl]cyclopentan-1-ol
CID 77090783

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2-chloro-4-fluorophenyl)methyl]-N,N'-dimethyloxamide?
The IUPAC name of N,N'-bis[(2-chloro-4-fluorophenyl)methyl]-N,N'-dimethyloxamide (CID 166179956) is N,N'-bis[(2-chloro-4-fluorophenyl)methyl]-N,N'-dimethyloxamide.
What is the SMILES notation for N,N'-bis[(2-chloro-4-fluorophenyl)methyl]-N,N'-dimethyloxamide?
The canonical SMILES for N,N'-bis[(2-chloro-4-fluorophenyl)methyl]-N,N'-dimethyloxamide is CN(Cc1ccc(F)cc1Cl)C(=O)C(=O)N(C)Cc1ccc(F)cc1Cl.
What is the InChIKey of N,N'-bis[(2-chloro-4-fluorophenyl)methyl]-N,N'-dimethyloxamide?
The InChIKey is KNNXIXNHCUAKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2F2N2O2/c1-23(9-11-3-5-13(21)7-15(11)19)17(25)18(26)24(2)10-12-4-6-14(22)8-16(12)20/h3-8H,9-10H2,1-2H3.
What are the key properties of N,N'-bis[(2-chloro-4-fluorophenyl)methyl]-N,N'-dimethyloxamide?
N,N'-bis[(2-chloro-4-fluorophenyl)methyl]-N,N'-dimethyloxamide has a molecular weight of 401.24 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(2-chloro-4-fluorophenyl)methyl]-N,N'-dimethyloxamide is sourced from PubChem (CID 166179956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).