N-[4-(diethylamino)phenyl]-N'-(2,4-difluorophenyl)oxamide

C18H19F2N3O2 — CID 108530640

IUPACN-[4-(diethylamino)phenyl]-N'-(2,4-difluorophenyl)oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H19F2N3O2/c1-3-23(4-2)14-8-6-13(7-9-14)21-17(24)18(25)22-16-10-5-12(19)11-15(16)20/h5-11H,3-4H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyLFVFDCRZBRTCPX-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.39
Rot. Bonds5

About N-[4-(diethylamino)phenyl]-N'-(2,4-difluorophenyl)oxamide

N-[4-(diethylamino)phenyl]-N'-(2,4-difluorophenyl)oxamide (PubChem CID 108530640) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-N'-(2,4-difluorophenyl)oxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-N'-(2,4-difluorophenyl)oxamide
PubChem CID108530640
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC NameN-[4-(diethylamino)phenyl]-N'-(2,4-difluorophenyl)oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H19F2N3O2/c1-3-23(4-2)14-8-6-13(7-9-14)21-17(24)18(25)22-16-10-5-12(19)11-15(16)20/h5-11H,3-4H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyLFVFDCRZBRTCPX-UHFFFAOYSA-N
XLogP3.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[4-(diethylamino)phenyl]-3-(2,4-difluorophenyl)urea
CID 970808
N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide
CID 108512632
3-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)propanamide
CID 109041734
2-[N-acetyl-4-(diethylamino)anilino]-N-(2,4-difluorophenyl)acetamide
CID 113176939
1-[4-(diethylamino)phenyl]-3-(2,5-difluorophenyl)urea
CID 3383505
N'-[4-(diethylamino)-2-methylphenyl]-N-(4-ethylphenyl)oxamide
CID 108522352
6-[4-(diethylamino)anilino]-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109359589
N-[2-(diethylamino)ethyl]-N'-(2,4-difluorophenyl)oxamide
CID 7541482
N-[4-(diethylamino)phenyl]-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109318417
N-(4-acetylphenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108514878
N-(2,4-difluorophenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide
CID 47336227
N'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide
CID 108523171

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-N'-(2,4-difluorophenyl)oxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-N'-(2,4-difluorophenyl)oxamide (CID 108530640) is N-[4-(diethylamino)phenyl]-N'-(2,4-difluorophenyl)oxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-N'-(2,4-difluorophenyl)oxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-N'-(2,4-difluorophenyl)oxamide is CCN(CC)c1ccc(NC(=O)C(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-N'-(2,4-difluorophenyl)oxamide?
The InChIKey is LFVFDCRZBRTCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c1-3-23(4-2)14-8-6-13(7-9-14)21-17(24)18(25)22-16-10-5-12(19)11-15(16)20/h5-11H,3-4H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[4-(diethylamino)phenyl]-N'-(2,4-difluorophenyl)oxamide?
N-[4-(diethylamino)phenyl]-N'-(2,4-difluorophenyl)oxamide has a molecular weight of 347.37 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-N'-(2,4-difluorophenyl)oxamide is sourced from PubChem (CID 108530640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).