N-(2-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide

C15H14ClFN2O2 — CID 63880194

IUPACN-(2-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(F)c(Cl)c2)c(N)c1
InChIInChI=1S/C15H14ClFN2O2/c1-9-2-5-14(13(18)6-9)19-15(20)8-21-10-3-4-12(17)11(16)7-10/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyJUBIIANNYQPIFQ-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.39
Rot. Bonds4

About N-(2-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide

N-(2-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide (PubChem CID 63880194) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
PubChem CID63880194
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC NameN-(2-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(F)c(Cl)c2)c(N)c1
InChIInChI=1S/C15H14ClFN2O2/c1-9-2-5-14(13(18)6-9)19-15(20)8-21-10-3-4-12(17)11(16)7-10/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyJUBIIANNYQPIFQ-UHFFFAOYSA-N
XLogP3.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 7751301
N-(2-amino-5-chlorophenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 63878984
N-(2-amino-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 43376437
N-(3-acetamido-2-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 38228993
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 1293205
N-(2-amino-4-methylphenyl)-2-(4-cyanophenoxy)acetamide
CID 43376508
N-(4-bromo-2-fluorophenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 4270758
2-(4-aminophenoxy)-N-(2-fluoro-5-methylphenyl)acetamide
CID 61094742
N-(2-chloro-4,6-dimethylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 2534815
N-(2,4-dichlorophenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 2515961
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzoic acid
CID 11438700
2-(3-chloro-4-fluorophenoxy)-N-(2-chloro-5-methylsulfonylphenyl)acetamide
CID 7432976

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide (CID 63880194) is N-(2-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide is Cc1ccc(NC(=O)COc2ccc(F)c(Cl)c2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide?
The InChIKey is JUBIIANNYQPIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-9-2-5-14(13(18)6-9)19-15(20)8-21-10-3-4-12(17)11(16)7-10/h2-7H,8,18H2,1H3,(H,19,20).
What are the key properties of N-(2-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide?
N-(2-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide has a molecular weight of 308.74 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide is sourced from PubChem (CID 63880194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).