3-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(3-fluorophenyl)propanamide

C19H20ClFN2O4 — CID 113134411

IUPAC3-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(3-fluorophenyl)propanamide
SMILESCOc1cc(N(CCC(=O)Nc2cccc(F)c2)C(C)=O)c(OC)cc1Cl
InChIInChI=1S/C19H20ClFN2O4/c1-12(24)23(16-11-17(26-2)15(20)10-18(16)27-3)8-7-19(25)22-14-6-4-5-13(21)9-14/h4-6,9-11H,7-8H2,1-3H3,(H,22,25)
InChIKeyVNRZNFUYKCOKKB-UHFFFAOYSA-N
MW394.83 g/mol
LogP3.88
Rot. Bonds7

About 3-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(3-fluorophenyl)propanamide

3-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(3-fluorophenyl)propanamide (PubChem CID 113134411) has the molecular formula C19H20ClFN2O4 and a molecular weight of 394.83 g/mol. Its IUPAC name is 3-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(3-fluorophenyl)propanamide
PubChem CID113134411
Molecular FormulaC19H20ClFN2O4
Molecular Weight394.83 g/mol
Exact Mass394.11
IUPAC Name3-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(3-fluorophenyl)propanamide
SMILESCOc1cc(N(CCC(=O)Nc2cccc(F)c2)C(C)=O)c(OC)cc1Cl
InChIInChI=1S/C19H20ClFN2O4/c1-12(24)23(16-11-17(26-2)15(20)10-18(16)27-3)8-7-19(25)22-14-6-4-5-13(21)9-14/h4-6,9-11H,7-8H2,1-3H3,(H,22,25)
InChIKeyVNRZNFUYKCOKKB-UHFFFAOYSA-N
XLogP3.88
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.83
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-2,5-dichloroanilino)-N-(3-fluorophenyl)propanamide
CID 113134036
3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113128810
3-(N-acetyl-2-fluoroanilino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 113126806
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(3-fluorophenyl)propanediamide
CID 108956608
3-(N-acetyl-2,4-dimethylanilino)-N-(3-fluorophenyl)propanamide
CID 113124261
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113129632
2-(N-acetyl-2,5-dimethoxyanilino)-N-(3-fluorophenyl)acetamide
CID 113174637
3-(N-acetyl-2,6-dimethylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113124924
3-(N-acetyl-2-methoxyanilino)-N-(3-acetylphenyl)propanamide
CID 113128829
3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113128809
3-(N-acetyl-3-fluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113132453
3-(N-acetyl-2,4-dichloroanilino)-N-(3-acetylphenyl)propanamide
CID 113133926

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(3-fluorophenyl)propanamide (CID 113134411) is 3-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(3-fluorophenyl)propanamide is COc1cc(N(CCC(=O)Nc2cccc(F)c2)C(C)=O)c(OC)cc1Cl.
What is the InChIKey of 3-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(3-fluorophenyl)propanamide?
The InChIKey is VNRZNFUYKCOKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O4/c1-12(24)23(16-11-17(26-2)15(20)10-18(16)27-3)8-7-19(25)22-14-6-4-5-13(21)9-14/h4-6,9-11H,7-8H2,1-3H3,(H,22,25).
What are the key properties of 3-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(3-fluorophenyl)propanamide?
3-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(3-fluorophenyl)propanamide has a molecular weight of 394.83 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 113134411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).