N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-2,4-difluorobenzamide

C18H17F2N3O3 — CID 38107976

IUPACN-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-2,4-difluorobenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CNC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C18H17F2N3O3/c1-23(2)18(26)11-3-6-13(7-4-11)22-16(24)10-21-17(25)14-8-5-12(19)9-15(14)20/h3-9H,10H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyKWHOFCOSXGYSPH-UHFFFAOYSA-N
MW361.35 g/mol
LogP2.04
Rot. Bonds5

About N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-2,4-difluorobenzamide

N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-2,4-difluorobenzamide (PubChem CID 38107976) has the molecular formula C18H17F2N3O3 and a molecular weight of 361.35 g/mol. Its IUPAC name is N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-2,4-difluorobenzamide
PubChem CID38107976
Molecular FormulaC18H17F2N3O3
Molecular Weight361.35 g/mol
Exact Mass361.12
IUPAC NameN-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-2,4-difluorobenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CNC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C18H17F2N3O3/c1-23(2)18(26)11-3-6-13(7-4-11)22-16(24)10-21-17(25)14-8-5-12(19)9-15(14)20/h3-9H,10H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyKWHOFCOSXGYSPH-UHFFFAOYSA-N
XLogP2.04
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-difluorobenzamide
CID 29415155
N-[2-(dimethylamino)-2-oxoethyl]-2,4-difluorobenzamide
CID 9480520
N-[2-[[4-(dimethylcarbamoyl)phenyl]methyl-ethylamino]-2-oxoethyl]-2,4-difluorobenzamide
CID 56510929
2,4-difluoro-N-[2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-2-oxoethyl]benzamide
CID 24597375
2-chloro-N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]benzamide
CID 38107413
N-[2-(3-benzamidoanilino)-2-oxoethyl]-2,4-difluorobenzamide
CID 55869846
2,4-difluoro-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide
CID 55579201
4-[[2-(4-fluorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 8698667
2,4-difluoro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide
CID 55529533
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,4-difluorobenzamide
CID 26661170
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,4-difluorobenzoyl)amino]acetate
CID 30312687

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-2,4-difluorobenzamide?
The IUPAC name of N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-2,4-difluorobenzamide (CID 38107976) is N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-2,4-difluorobenzamide is CN(C)C(=O)c1ccc(NC(=O)CNC(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-2,4-difluorobenzamide?
The InChIKey is KWHOFCOSXGYSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O3/c1-23(2)18(26)11-3-6-13(7-4-11)22-16(24)10-21-17(25)14-8-5-12(19)9-15(14)20/h3-9H,10H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-2,4-difluorobenzamide?
N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-2,4-difluorobenzamide has a molecular weight of 361.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-2,4-difluorobenzamide is sourced from PubChem (CID 38107976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).