N-(3-amino-5-fluorophenyl)-2-(4-chlorophenoxy)acetamide

C14H12ClFN2O2 — CID 107334024

IUPACN-(3-amino-5-fluorophenyl)-2-(4-chlorophenoxy)acetamide
SMILESNc1cc(F)cc(NC(=O)COc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H12ClFN2O2/c15-9-1-3-13(4-2-9)20-8-14(19)18-12-6-10(16)5-11(17)7-12/h1-7H,8,17H2,(H,18,19)
InChIKeyREVRCKSEJFTLAB-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.08
Rot. Bonds4

About N-(3-amino-5-fluorophenyl)-2-(4-chlorophenoxy)acetamide

N-(3-amino-5-fluorophenyl)-2-(4-chlorophenoxy)acetamide (PubChem CID 107334024) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is N-(3-amino-5-fluorophenyl)-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-amino-5-fluorophenyl)-2-(4-chlorophenoxy)acetamide
PubChem CID107334024
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC NameN-(3-amino-5-fluorophenyl)-2-(4-chlorophenoxy)acetamide
SMILESNc1cc(F)cc(NC(=O)COc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H12ClFN2O2/c15-9-1-3-13(4-2-9)20-8-14(19)18-12-6-10(16)5-11(17)7-12/h1-7H,8,17H2,(H,18,19)
InChIKeyREVRCKSEJFTLAB-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

2-(4-aminophenoxy)-N-(3,5-dichloro-4-fluorophenyl)acetamide
CID 107571144
N-(4-amino-2,6-dimethylphenyl)-2-(4-chlorophenoxy)acetamide
CID 50881036
N-(5-amino-2-chlorophenyl)-2-(4-chlorophenoxy)acetamide
CID 28867019
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-fluorophenyl)benzamide
CID 55888092
N-(3-amino-4-chlorophenyl)-2-(4-fluorophenoxy)acetamide
CID 16788443
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide
CID 112505285
2-(4-chlorophenoxy)-N-[4-[[2-(3,5-difluorophenoxy)acetyl]amino]cyclohexyl]acetamide
CID 121260487
N-(4-amino-3-nitrophenyl)-2-(4-chlorophenoxy)acetamide
CID 23464321
2-(4-aminophenoxy)-N-(3-cyano-4-fluorophenyl)acetamide
CID 62317828
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-fluorophenyl)acetamide
CID 126393495
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 26158844
2-(4-chlorophenoxy)-N-pyridin-4-ylacetamide;hydrochloride
CID 163329233

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-5-fluorophenyl)-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-(3-amino-5-fluorophenyl)-2-(4-chlorophenoxy)acetamide (CID 107334024) is N-(3-amino-5-fluorophenyl)-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-(3-amino-5-fluorophenyl)-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-(3-amino-5-fluorophenyl)-2-(4-chlorophenoxy)acetamide is Nc1cc(F)cc(NC(=O)COc2ccc(Cl)cc2)c1.
What is the InChIKey of N-(3-amino-5-fluorophenyl)-2-(4-chlorophenoxy)acetamide?
The InChIKey is REVRCKSEJFTLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c15-9-1-3-13(4-2-9)20-8-14(19)18-12-6-10(16)5-11(17)7-12/h1-7H,8,17H2,(H,18,19).
What are the key properties of N-(3-amino-5-fluorophenyl)-2-(4-chlorophenoxy)acetamide?
N-(3-amino-5-fluorophenyl)-2-(4-chlorophenoxy)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-5-fluorophenyl)-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 107334024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).