N-(4-aminophenyl)-2-(2-chloro-6-fluorophenoxy)acetamide

C14H12ClFN2O2 — CID 83050973

IUPACN-(4-aminophenyl)-2-(2-chloro-6-fluorophenoxy)acetamide
SMILESNc1ccc(NC(=O)COc2c(F)cccc2Cl)cc1
InChIInChI=1S/C14H12ClFN2O2/c15-11-2-1-3-12(16)14(11)20-8-13(19)18-10-6-4-9(17)5-7-10/h1-7H,8,17H2,(H,18,19)
InChIKeyKKNHIDIGVQCBNF-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.08
Rot. Bonds4

About N-(4-aminophenyl)-2-(2-chloro-6-fluorophenoxy)acetamide

N-(4-aminophenyl)-2-(2-chloro-6-fluorophenoxy)acetamide (PubChem CID 83050973) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(2-chloro-6-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(2-chloro-6-fluorophenoxy)acetamide
PubChem CID83050973
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC NameN-(4-aminophenyl)-2-(2-chloro-6-fluorophenoxy)acetamide
SMILESNc1ccc(NC(=O)COc2c(F)cccc2Cl)cc1
InChIInChI=1S/C14H12ClFN2O2/c15-11-2-1-3-12(16)14(11)20-8-13(19)18-10-6-4-9(17)5-7-10/h1-7H,8,17H2,(H,18,19)
InChIKeyKKNHIDIGVQCBNF-UHFFFAOYSA-N
XLogP3.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-chlorophenyl)-2-(2,6-dichlorophenoxy)acetamide
CID 60800025
2-(2,6-dichlorophenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 46669347
N-(4-aminophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 29274448
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-bromophenyl)acetamide
CID 115952038
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-methylphenyl)acetamide
CID 115952056
2-(2-anilino-2-oxoethoxy)-3-chlorobenzoic acid
CID 115955933
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 29276938
N-(2-aminophenyl)-2-(2,6-difluorophenoxy)acetamide
CID 81268833
2-(4-aminophenoxy)-N-(3,5-dichloro-4-fluorophenyl)acetamide
CID 107571144
N-(4-aminophenyl)-2-[(2-fluorophenyl)methoxy]acetamide
CID 63933863
N-(2-amino-5-fluorophenyl)-2-(2,6-dichlorophenoxy)acetamide
CID 60801946
2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-fluorophenyl)acetamide
CID 115951922

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(2-chloro-6-fluorophenoxy)acetamide?
The IUPAC name of N-(4-aminophenyl)-2-(2-chloro-6-fluorophenoxy)acetamide (CID 83050973) is N-(4-aminophenyl)-2-(2-chloro-6-fluorophenoxy)acetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(2-chloro-6-fluorophenoxy)acetamide?
The canonical SMILES for N-(4-aminophenyl)-2-(2-chloro-6-fluorophenoxy)acetamide is Nc1ccc(NC(=O)COc2c(F)cccc2Cl)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-(2-chloro-6-fluorophenoxy)acetamide?
The InChIKey is KKNHIDIGVQCBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c15-11-2-1-3-12(16)14(11)20-8-13(19)18-10-6-4-9(17)5-7-10/h1-7H,8,17H2,(H,18,19).
What are the key properties of N-(4-aminophenyl)-2-(2-chloro-6-fluorophenoxy)acetamide?
N-(4-aminophenyl)-2-(2-chloro-6-fluorophenoxy)acetamide has a molecular weight of 294.71 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(2-chloro-6-fluorophenoxy)acetamide is sourced from PubChem (CID 83050973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).