3-(N-acetyl-2-fluoroanilino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide

C19H20ClFN2O4 — CID 113126806

IUPAC3-(N-acetyl-2-fluoroanilino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCN(C(C)=O)c2ccccc2F)c(OC)cc1Cl
InChIInChI=1S/C19H20ClFN2O4/c1-12(24)23(16-7-5-4-6-14(16)21)9-8-19(25)22-15-11-17(26-2)13(20)10-18(15)27-3/h4-7,10-11H,8-9H2,1-3H3,(H,22,25)
InChIKeyNMRNIELLVCRJMJ-UHFFFAOYSA-N
MW394.83 g/mol
LogP3.88
Rot. Bonds7

About 3-(N-acetyl-2-fluoroanilino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide

3-(N-acetyl-2-fluoroanilino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide (PubChem CID 113126806) has the molecular formula C19H20ClFN2O4 and a molecular weight of 394.83 g/mol. Its IUPAC name is 3-(N-acetyl-2-fluoroanilino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-fluoroanilino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
PubChem CID113126806
Molecular FormulaC19H20ClFN2O4
Molecular Weight394.83 g/mol
Exact Mass394.11
IUPAC Name3-(N-acetyl-2-fluoroanilino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCN(C(C)=O)c2ccccc2F)c(OC)cc1Cl
InChIInChI=1S/C19H20ClFN2O4/c1-12(24)23(16-7-5-4-6-14(16)21)9-8-19(25)22-15-11-17(26-2)13(20)10-18(15)27-3/h4-7,10-11H,8-9H2,1-3H3,(H,22,25)
InChIKeyNMRNIELLVCRJMJ-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

2-(N-acetyl-2-fluoroanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113170889
3-(N-acetyl-2-methoxyanilino)-N-(2-fluorophenyl)propanamide
CID 113128801
3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide
CID 113126739
3-(N-acetyl-2-fluoroanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 113126745
3-(N-acetyl-2-fluoroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113126804
3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113128810
3-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(3-fluorophenyl)propanamide
CID 113134411
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-fluorophenyl)propanamide
CID 113130144
3-(N-acetyl-2-fluoroanilino)-N-(2-phenoxyphenyl)propanamide
CID 113126798
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 113162310
3-(N-acetyl-2-cyanoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113134770
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,6-difluorophenyl)propanediamide
CID 108956907

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-fluoroanilino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-fluoroanilino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide (CID 113126806) is 3-(N-acetyl-2-fluoroanilino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-fluoroanilino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-fluoroanilino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide is COc1cc(NC(=O)CCN(C(C)=O)c2ccccc2F)c(OC)cc1Cl.
What is the InChIKey of 3-(N-acetyl-2-fluoroanilino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide?
The InChIKey is NMRNIELLVCRJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O4/c1-12(24)23(16-7-5-4-6-14(16)21)9-8-19(25)22-15-11-17(26-2)13(20)10-18(15)27-3/h4-7,10-11H,8-9H2,1-3H3,(H,22,25).
What are the key properties of 3-(N-acetyl-2-fluoroanilino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide?
3-(N-acetyl-2-fluoroanilino)-N-(4-chloro-2,5-dimethoxyphenyl)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-2-fluoroanilino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 113126806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).