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

C14H12ClFN2O2 — CID 16788443

IUPACN-(3-amino-4-chlorophenyl)-2-(4-fluorophenoxy)acetamide
SMILESNc1cc(NC(=O)COc2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C14H12ClFN2O2/c15-12-6-3-10(7-13(12)17)18-14(19)8-20-11-4-1-9(16)2-5-11/h1-7H,8,17H2,(H,18,19)
InChIKeyAXYBBOKEYRGBFC-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.08
Rot. Bonds4

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

N-(3-amino-4-chlorophenyl)-2-(4-fluorophenoxy)acetamide (PubChem CID 16788443) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-(4-fluorophenoxy)acetamide
PubChem CID16788443
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC NameN-(3-amino-4-chlorophenyl)-2-(4-fluorophenoxy)acetamide
SMILESNc1cc(NC(=O)COc2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C14H12ClFN2O2/c15-12-6-3-10(7-13(12)17)18-14(19)8-20-11-4-1-9(16)2-5-11/h1-7H,8,17H2,(H,18,19)
InChIKeyAXYBBOKEYRGBFC-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-chlorophenyl)-3-(4-fluorophenoxy)propanamide
CID 29046897
N-(3-amino-4-chlorophenyl)-2-(3-bromo-5-fluorophenoxy)acetamide
CID 81313501
N-(3-amino-4-chlorophenyl)-2-(2-fluorophenoxy)acetamide
CID 16793498
N-(3-amino-4-chlorophenyl)-2-(2,6-dichlorophenoxy)acetamide
CID 60800025
N-(2-amino-4,6-dichlorophenyl)-2-(4-fluorophenoxy)acetamide
CID 29033166
2-(2-amino-4,5-dichlorophenoxy)-N-(4-fluorophenyl)acetamide
CID 107498887
N-(3-amino-4-chlorophenyl)-2-(2-iodophenoxy)acetamide
CID 43479671
N-(3-amino-4-chlorophenyl)-2-(2-methylsulfanylphenoxy)acetamide
CID 63649159
2-(4-fluorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 9323790
2-(4-aminophenoxy)-N-(3,5-dichloro-4-fluorophenyl)acetamide
CID 107571144
N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenoxy)acetamide
CID 43554704
N-(3-amino-4-chlorophenyl)-2-(4-ethoxyphenyl)acetamide
CID 28866983

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-(4-fluorophenoxy)acetamide (CID 16788443) is N-(3-amino-4-chlorophenyl)-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-(4-fluorophenoxy)acetamide is Nc1cc(NC(=O)COc2ccc(F)cc2)ccc1Cl.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-(4-fluorophenoxy)acetamide?
The InChIKey is AXYBBOKEYRGBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c15-12-6-3-10(7-13(12)17)18-14(19)8-20-11-4-1-9(16)2-5-11/h1-7H,8,17H2,(H,18,19).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-(4-fluorophenoxy)acetamide?
N-(3-amino-4-chlorophenyl)-2-(4-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-(3-amino-4-chlorophenyl)-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 16788443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).