3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide

C21H24ClFN2O4 — CID 9439299

IUPAC3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
SMILESCOc1cc(C(=O)N(C)CC(=O)Nc2cccc(F)c2)cc(Cl)c1OCC(C)C
InChIInChI=1S/C21H24ClFN2O4/c1-13(2)12-29-20-17(22)8-14(9-18(20)28-4)21(27)25(3)11-19(26)24-16-7-5-6-15(23)10-16/h5-10,13H,11-12H2,1-4H3,(H,24,26)
InChIKeyUBALMPXGBSFCGU-UHFFFAOYSA-N
MW422.88 g/mol
LogP4.23
Rot. Bonds8

About 3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide

3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide (PubChem CID 9439299) has the molecular formula C21H24ClFN2O4 and a molecular weight of 422.88 g/mol. Its IUPAC name is 3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
PubChem CID9439299
Molecular FormulaC21H24ClFN2O4
Molecular Weight422.88 g/mol
Exact Mass422.14
IUPAC Name3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
SMILESCOc1cc(C(=O)N(C)CC(=O)Nc2cccc(F)c2)cc(Cl)c1OCC(C)C
InChIInChI=1S/C21H24ClFN2O4/c1-13(2)12-29-20-17(22)8-14(9-18(20)28-4)21(27)25(3)11-19(26)24-16-7-5-6-15(23)10-16/h5-10,13H,11-12H2,1-4H3,(H,24,26)
InChIKeyUBALMPXGBSFCGU-UHFFFAOYSA-N
XLogP4.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.88
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
CID 56566598
3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)benzamide
CID 134058516
3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9439130
4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7719433
3-methoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(2-methylpropoxy)benzamide
CID 9418826
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methoxy-N-methylbenzamide
CID 27794645
3-chloro-5-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-propoxybenzamide
CID 9493504
4-bromo-N-[2-(3-chloroanilino)-2-oxoethyl]-3,5-dimethoxy-N-methylbenzamide
CID 38622669
N-[2-(3-fluoroanilino)-2-oxoethyl]-4-methoxy-N-methyl-3-nitrobenzamide
CID 7719448
3-chloro-N-(furan-2-ylmethyl)-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
CID 55334280
N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(methoxymethyl)-N-methylbenzamide
CID 8621107
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 7936791

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide?
The IUPAC name of 3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide (CID 9439299) is 3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for 3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide?
The canonical SMILES for 3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide is COc1cc(C(=O)N(C)CC(=O)Nc2cccc(F)c2)cc(Cl)c1OCC(C)C.
What is the InChIKey of 3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide?
The InChIKey is UBALMPXGBSFCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O4/c1-13(2)12-29-20-17(22)8-14(9-18(20)28-4)21(27)25(3)11-19(26)24-16-7-5-6-15(23)10-16/h5-10,13H,11-12H2,1-4H3,(H,24,26).
What are the key properties of 3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide?
3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide has a molecular weight of 422.88 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 9439299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).