N-[4-(diethylamino)-2-methylphenyl]-N'-(2,6-difluorophenyl)oxamide

C19H21F2N3O2 — CID 108522130

IUPACN-[4-(diethylamino)-2-methylphenyl]-N'-(2,6-difluorophenyl)oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)Nc2c(F)cccc2F)c(C)c1
InChIInChI=1S/C19H21F2N3O2/c1-4-24(5-2)13-9-10-16(12(3)11-13)22-18(25)19(26)23-17-14(20)7-6-8-15(17)21/h6-11H,4-5H2,1-3H3,(H,22,25)(H,23,26)
InChIKeySNMZFDQXVFBFKO-UHFFFAOYSA-N
MW361.39 g/mol
LogP3.70
Rot. Bonds5

About N-[4-(diethylamino)-2-methylphenyl]-N'-(2,6-difluorophenyl)oxamide

N-[4-(diethylamino)-2-methylphenyl]-N'-(2,6-difluorophenyl)oxamide (PubChem CID 108522130) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-N'-(2,6-difluorophenyl)oxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-N'-(2,6-difluorophenyl)oxamide
PubChem CID108522130
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-N'-(2,6-difluorophenyl)oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)Nc2c(F)cccc2F)c(C)c1
InChIInChI=1S/C19H21F2N3O2/c1-4-24(5-2)13-9-10-16(12(3)11-13)22-18(25)19(26)23-17-14(20)7-6-8-15(17)21/h6-11H,4-5H2,1-3H3,(H,22,25)(H,23,26)
InChIKeySNMZFDQXVFBFKO-UHFFFAOYSA-N
XLogP3.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.70
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

N-[4-(diethylamino)-2-methylphenyl]-2-[(2-fluorophenyl)methylamino]acetamide
CID 108997613
N'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide
CID 108523171
N'-(2-carbamoylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108529438
N'-[4-(diethylamino)-2-methylphenyl]-N-(4-ethylphenyl)oxamide
CID 108522352
N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-phenyloxamide
CID 108518693
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
1-[4-(diethylamino)-2-methylphenyl]-3-(3-fluorophenyl)urea
CID 108894002
2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-(2,6-difluorophenyl)acetamide
CID 113180493
methyl 3-[[2-[4-(diethylamino)-2-methylanilino]-2-oxoacetyl]amino]benzoate
CID 108987541
N-[4-(diethylamino)-2-methylphenyl]-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020993
N-[4-(diethylamino)-2-methylphenyl]-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519226
N'-(2-amino-5-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108532401

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-N'-(2,6-difluorophenyl)oxamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-N'-(2,6-difluorophenyl)oxamide (CID 108522130) is N-[4-(diethylamino)-2-methylphenyl]-N'-(2,6-difluorophenyl)oxamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-N'-(2,6-difluorophenyl)oxamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-N'-(2,6-difluorophenyl)oxamide is CCN(CC)c1ccc(NC(=O)C(=O)Nc2c(F)cccc2F)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-N'-(2,6-difluorophenyl)oxamide?
The InChIKey is SNMZFDQXVFBFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-4-24(5-2)13-9-10-16(12(3)11-13)22-18(25)19(26)23-17-14(20)7-6-8-15(17)21/h6-11H,4-5H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-N'-(2,6-difluorophenyl)oxamide?
N-[4-(diethylamino)-2-methylphenyl]-N'-(2,6-difluorophenyl)oxamide has a molecular weight of 361.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-N'-(2,6-difluorophenyl)oxamide is sourced from PubChem (CID 108522130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).