3-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide

C17H17ClFN3O2 — CID 31418295

IUPAC3-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NCC(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C17H17ClFN3O2/c1-22(2)17(24)11-4-3-5-12(8-11)20-10-16(23)21-13-6-7-15(19)14(18)9-13/h3-9,20H,10H2,1-2H3,(H,21,23)
InChIKeyOAFSQTXFILZBPB-UHFFFAOYSA-N
MW349.79 g/mol
LogP3.23
Rot. Bonds5

About 3-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide

3-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide (PubChem CID 31418295) has the molecular formula C17H17ClFN3O2 and a molecular weight of 349.79 g/mol. Its IUPAC name is 3-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
PubChem CID31418295
Molecular FormulaC17H17ClFN3O2
Molecular Weight349.79 g/mol
Exact Mass349.10
IUPAC Name3-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NCC(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C17H17ClFN3O2/c1-22(2)17(24)11-4-3-5-12(8-11)20-10-16(23)21-13-6-7-15(19)14(18)9-13/h3-9,20H,10H2,1-2H3,(H,21,23)
InChIKeyOAFSQTXFILZBPB-UHFFFAOYSA-N
XLogP3.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29454051
3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 54816056
2-(3-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9084520
3-[[2-(3,5-difluoroanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 37275657
2-(3-chloro-4-fluoroanilino)-N-(3-fluorophenyl)acetamide
CID 9099614
N,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54840880
2-(3-chloro-4-fluoroanilino)-N-[4-(dimethylamino)phenyl]acetamide
CID 109008699
N-[3-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54818383
2-(3-chloro-4-fluoroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54818358
3-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832742
3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840717
3-[[2-[5-(butanoylamino)-2-chloroanilino]acetyl]amino]-N,N-dimethylbenzamide
CID 54831270

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide (CID 31418295) is 3-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(NCC(=O)Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 3-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The InChIKey is OAFSQTXFILZBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O2/c1-22(2)17(24)11-4-3-5-12(8-11)20-10-16(23)21-13-6-7-15(19)14(18)9-13/h3-9,20H,10H2,1-2H3,(H,21,23).
What are the key properties of 3-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
3-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide has a molecular weight of 349.79 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 31418295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).