4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide

C16H14ClFN2O2 — CID 7719433

IUPAC4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClFN2O2/c1-20(16(22)11-5-7-12(17)8-6-11)10-15(21)19-14-4-2-3-13(18)9-14/h2-9H,10H2,1H3,(H,19,21)
InChIKeyBKZHARAZLDDPQZ-UHFFFAOYSA-N
MW320.75 g/mol
LogP3.19
Rot. Bonds4

About 4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide

4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 7719433) has the molecular formula C16H14ClFN2O2 and a molecular weight of 320.75 g/mol. Its IUPAC name is 4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
PubChem CID7719433
Molecular FormulaC16H14ClFN2O2
Molecular Weight320.75 g/mol
Exact Mass320.07
IUPAC Name4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClFN2O2/c1-20(16(22)11-5-7-12(17)8-6-11)10-15(21)19-14-4-2-3-13(18)9-14/h2-9H,10H2,1H3,(H,19,21)
InChIKeyBKZHARAZLDDPQZ-UHFFFAOYSA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9439130
N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(methoxymethyl)-N-methylbenzamide
CID 8621107
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 7936791
N-[2-(4-chlorophenyl)ethyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9250787
2-(2-chloro-6-fluorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 7719443
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9439622
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-iodo-N-methylbenzamide
CID 27794667
2-(N-acetyl-2,4-dichloroanilino)-N-(3-fluorophenyl)acetamide
CID 113179657
5-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 27794621
2-[[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 42913912
N-[2-(3-fluoroanilino)-2-oxoethyl]-4-methoxy-N-methyl-3-nitrobenzamide
CID 7719448
3-acetamido-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9441407

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide (CID 7719433) is 4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide is CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is BKZHARAZLDDPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O2/c1-20(16(22)11-5-7-12(17)8-6-11)10-15(21)19-14-4-2-3-13(18)9-14/h2-9H,10H2,1H3,(H,19,21).
What are the key properties of 4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 320.75 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 7719433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).