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

C14H11Cl2FN2O2 — CID 82717766

IUPACN-(4-amino-2-chlorophenyl)-2-(4-chloro-3-fluorophenoxy)acetamide
SMILESNc1ccc(NC(=O)COc2ccc(Cl)c(F)c2)c(Cl)c1
InChIInChI=1S/C14H11Cl2FN2O2/c15-10-3-2-9(6-12(10)17)21-7-14(20)19-13-4-1-8(18)5-11(13)16/h1-6H,7,18H2,(H,19,20)
InChIKeyOQJAVTJZBWPIGA-UHFFFAOYSA-N
MW329.16 g/mol
LogP3.73
Rot. Bonds4

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

N-(4-amino-2-chlorophenyl)-2-(4-chloro-3-fluorophenoxy)acetamide (PubChem CID 82717766) has the molecular formula C14H11Cl2FN2O2 and a molecular weight of 329.16 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-(4-chloro-3-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-(4-chloro-3-fluorophenoxy)acetamide
PubChem CID82717766
Molecular FormulaC14H11Cl2FN2O2
Molecular Weight329.16 g/mol
Exact Mass328.02
IUPAC NameN-(4-amino-2-chlorophenyl)-2-(4-chloro-3-fluorophenoxy)acetamide
SMILESNc1ccc(NC(=O)COc2ccc(Cl)c(F)c2)c(Cl)c1
InChIInChI=1S/C14H11Cl2FN2O2/c15-10-3-2-9(6-12(10)17)21-7-14(20)19-13-4-1-8(18)5-11(13)16/h1-6H,7,18H2,(H,19,20)
InChIKeyOQJAVTJZBWPIGA-UHFFFAOYSA-N
XLogP3.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.16
LogP ≤ 53.73
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-(5-amino-2-chlorophenyl)-2-(4-chlorophenoxy)acetamide
CID 28867019
N-(4-amino-2-chlorophenyl)-2-(3-bromo-5-fluorophenoxy)acetamide
CID 81314203
N-(4-amino-2-chlorophenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 28542842
N-(4-amino-2-methylphenyl)-2-(3,4-dichlorophenoxy)acetamide
CID 60999929
2-(4-chloro-3-fluorophenoxy)-N-[6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methyl-3-pyridinyl]acetamide
CID 139571859
N-(4-amino-2-chlorophenyl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 60970761
N-(4-amino-2-chlorophenyl)-2-(4-bromo-2-fluorophenoxy)acetamide
CID 28971332
N-(5-amino-2-methylphenyl)-2-(3,4-dichlorophenoxy)acetamide
CID 60999928
N-(2-amino-5-chlorophenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 63878984
N-(4-amino-2-chlorophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 28510783
2-(4-aminophenoxy)-N-(2,4,5-trifluorophenyl)acetamide
CID 62816214
N-(2-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 63880194

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-(4-chloro-3-fluorophenoxy)acetamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-(4-chloro-3-fluorophenoxy)acetamide (CID 82717766) is N-(4-amino-2-chlorophenyl)-2-(4-chloro-3-fluorophenoxy)acetamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-(4-chloro-3-fluorophenoxy)acetamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-(4-chloro-3-fluorophenoxy)acetamide is Nc1ccc(NC(=O)COc2ccc(Cl)c(F)c2)c(Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-(4-chloro-3-fluorophenoxy)acetamide?
The InChIKey is OQJAVTJZBWPIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O2/c15-10-3-2-9(6-12(10)17)21-7-14(20)19-13-4-1-8(18)5-11(13)16/h1-6H,7,18H2,(H,19,20).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-(4-chloro-3-fluorophenoxy)acetamide?
N-(4-amino-2-chlorophenyl)-2-(4-chloro-3-fluorophenoxy)acetamide has a molecular weight of 329.16 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-(4-chloro-3-fluorophenoxy)acetamide is sourced from PubChem (CID 82717766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).