2-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)acetamide

C15H14ClFN2O2 — CID 81146886

IUPAC2-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)acetamide
SMILESCOc1ccc(NC(C(N)=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H14ClFN2O2/c1-21-11-5-3-10(4-6-11)19-14(15(18)20)9-2-7-13(17)12(16)8-9/h2-8,14,19H,1H3,(H2,18,20)
InChIKeyIKYWGPCVDXNDTO-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.13
Rot. Bonds5

About 2-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)acetamide

2-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)acetamide (PubChem CID 81146886) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)acetamide
PubChem CID81146886
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name2-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)acetamide
SMILESCOc1ccc(NC(C(N)=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H14ClFN2O2/c1-21-11-5-3-10(4-6-11)19-14(15(18)20)9-2-7-13(17)12(16)8-9/h2-8,14,19H,1H3,(H2,18,20)
InChIKeyIKYWGPCVDXNDTO-UHFFFAOYSA-N
XLogP3.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-4-chloroanilino)-2-(3-chloro-4-fluorophenyl)acetamide
CID 81146753
2-anilino-2-(3-chloro-4-methoxyphenyl)acetamide
CID 65026961
2-(5-chloro-2-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 114843642
2-(3,4-dichlorophenyl)-2-(3-methoxyanilino)acetamide
CID 60995627
ethyl (2S)-2-(4-chlorophenyl)-2-(4-methoxyanilino)acetate
CID 134946729
methyl 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate
CID 24814480
N'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44998409
2-(4-fluoro-3-methylphenyl)-2-(3-methoxyanilino)acetamide
CID 62122028
2-(3-chloroanilino)-2-(3-chloro-4-methoxyphenyl)acetamide
CID 65027018
2-(4-chloroanilino)-2-(6-methoxy-3-pyridinyl)acetamide
CID 114937350
2-(3-chlorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60991192
2-(3,5-dichlorophenyl)-2-(4-fluoroanilino)acetamide
CID 61005627

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)acetamide (CID 81146886) is 2-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)acetamide is COc1ccc(NC(C(N)=O)c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)acetamide?
The InChIKey is IKYWGPCVDXNDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-21-11-5-3-10(4-6-11)19-14(15(18)20)9-2-7-13(17)12(16)8-9/h2-8,14,19H,1H3,(H2,18,20).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)acetamide?
2-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)acetamide has a molecular weight of 308.74 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)acetamide is sourced from PubChem (CID 81146886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).