3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-fluorophenyl)propanamide

C18H18ClFN2O3 — CID 113128810

IUPAC3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-fluorophenyl)propanamide
SMILESCOc1ccccc1N(CCC(=O)Nc1ccc(F)c(Cl)c1)C(C)=O
InChIInChI=1S/C18H18ClFN2O3/c1-12(23)22(16-5-3-4-6-17(16)25-2)10-9-18(24)21-13-7-8-15(20)14(19)11-13/h3-8,11H,9-10H2,1-2H3,(H,21,24)
InChIKeyHWRSUOSKVUUYOW-UHFFFAOYSA-N
MW364.80 g/mol
LogP3.87
Rot. Bonds6

About 3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-fluorophenyl)propanamide

3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-fluorophenyl)propanamide (PubChem CID 113128810) has the molecular formula C18H18ClFN2O3 and a molecular weight of 364.80 g/mol. Its IUPAC name is 3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-fluorophenyl)propanamide
PubChem CID113128810
Molecular FormulaC18H18ClFN2O3
Molecular Weight364.80 g/mol
Exact Mass364.10
IUPAC Name3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-fluorophenyl)propanamide
SMILESCOc1ccccc1N(CCC(=O)Nc1ccc(F)c(Cl)c1)C(C)=O
InChIInChI=1S/C18H18ClFN2O3/c1-12(23)22(16-5-3-4-6-17(16)25-2)10-9-18(24)21-13-7-8-15(20)14(19)11-13/h3-8,11H,9-10H2,1-2H3,(H,21,24)
InChIKeyHWRSUOSKVUUYOW-UHFFFAOYSA-N
XLogP3.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113128809
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113129632
3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113123651
3-(N-acetyl-2-methoxyanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113128795
3-(N-acetyl-2-methoxyanilino)-N-(3-acetylphenyl)propanamide
CID 113128829
3-(N-acetyl-2,6-difluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113135432
3-(N-acetyl-2-methoxyanilino)-N-(2-fluorophenyl)propanamide
CID 113128801
3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113123846
3-(N-acetyl-3-fluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113132453
3-(N-acetyl-2-fluoroanilino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 113126806
3-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)propanamide
CID 113127656
3-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(3-fluorophenyl)propanamide
CID 113134411

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-fluorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-fluorophenyl)propanamide (CID 113128810) is 3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-fluorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-fluorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-fluorophenyl)propanamide is COc1ccccc1N(CCC(=O)Nc1ccc(F)c(Cl)c1)C(C)=O.
What is the InChIKey of 3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-fluorophenyl)propanamide?
The InChIKey is HWRSUOSKVUUYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O3/c1-12(23)22(16-5-3-4-6-17(16)25-2)10-9-18(24)21-13-7-8-15(20)14(19)11-13/h3-8,11H,9-10H2,1-2H3,(H,21,24).
What are the key properties of 3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-fluorophenyl)propanamide?
3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-fluorophenyl)propanamide has a molecular weight of 364.80 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-fluorophenyl)propanamide is sourced from PubChem (CID 113128810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).