2-(2-chloro-4-fluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide

C16H16ClFN2O3 — CID 9099540

IUPAC2-(2-chloro-4-fluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2ccc(F)cc2Cl)cc1OC
InChIInChI=1S/C16H16ClFN2O3/c1-22-14-6-4-11(8-15(14)23-2)20-16(21)9-19-13-5-3-10(18)7-12(13)17/h3-8,19H,9H2,1-2H3,(H,20,21)
InChIKeyHTXFOMLGDWBGRI-UHFFFAOYSA-N
MW338.77 g/mol
LogP3.55
Rot. Bonds6

About 2-(2-chloro-4-fluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide

2-(2-chloro-4-fluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 9099540) has the molecular formula C16H16ClFN2O3 and a molecular weight of 338.77 g/mol. Its IUPAC name is 2-(2-chloro-4-fluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID9099540
Molecular FormulaC16H16ClFN2O3
Molecular Weight338.77 g/mol
Exact Mass338.08
IUPAC Name2-(2-chloro-4-fluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2ccc(F)cc2Cl)cc1OC
InChIInChI=1S/C16H16ClFN2O3/c1-22-14-6-4-11(8-15(14)23-2)20-16(21)9-19-13-5-3-10(18)7-12(13)17/h3-8,19H,9H2,1-2H3,(H,20,21)
InChIKeyHTXFOMLGDWBGRI-UHFFFAOYSA-N
XLogP3.55
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 9099062
N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)acetamide
CID 26416543
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
2-(3,4-dichloroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9098792
2-(4,5-dimethoxy-2-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9105356
N-(3-chloro-4-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816552
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylanilino)acetamide
CID 9081068
N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009628
N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide
CID 9079826
N-(3,4-dichlorophenyl)-2-(2-methoxyanilino)acetamide
CID 9080426
N-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)acetamide
CID 37465407
N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)acetamide
CID 9080460

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(2-chloro-4-fluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide (CID 9099540) is 2-(2-chloro-4-fluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-fluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CNc2ccc(F)cc2Cl)cc1OC.
What is the InChIKey of 2-(2-chloro-4-fluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is HTXFOMLGDWBGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O3/c1-22-14-6-4-11(8-15(14)23-2)20-16(21)9-19-13-5-3-10(18)7-12(13)17/h3-8,19H,9H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-chloro-4-fluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide?
2-(2-chloro-4-fluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 338.77 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 9099540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).