2-(4-aminophenyl)-N-(5-chloro-2-fluorophenyl)acetamide

C14H12ClFN2O — CID 43438160

IUPAC2-(4-aminophenyl)-N-(5-chloro-2-fluorophenyl)acetamide
SMILESNc1ccc(CC(=O)Nc2cc(Cl)ccc2F)cc1
InChIInChI=1S/C14H12ClFN2O/c15-10-3-6-12(16)13(8-10)18-14(19)7-9-1-4-11(17)5-2-9/h1-6,8H,7,17H2,(H,18,19)
InChIKeyALBKVNJZURUELJ-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.24
Rot. Bonds3

About 2-(4-aminophenyl)-N-(5-chloro-2-fluorophenyl)acetamide

2-(4-aminophenyl)-N-(5-chloro-2-fluorophenyl)acetamide (PubChem CID 43438160) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(5-chloro-2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(5-chloro-2-fluorophenyl)acetamide
PubChem CID43438160
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name2-(4-aminophenyl)-N-(5-chloro-2-fluorophenyl)acetamide
SMILESNc1ccc(CC(=O)Nc2cc(Cl)ccc2F)cc1
InChIInChI=1S/C14H12ClFN2O/c15-10-3-6-12(16)13(8-10)18-14(19)7-9-1-4-11(17)5-2-9/h1-6,8H,7,17H2,(H,18,19)
InChIKeyALBKVNJZURUELJ-UHFFFAOYSA-N
XLogP3.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(5-amino-2-fluorophenyl)-2-(4-fluorophenyl)acetamide
CID 16789035
N-(5-amino-2-fluorophenyl)-2-(3-chlorophenyl)acetamide
CID 55083516
N-(5-chloro-2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534714
N-(5-amino-2-fluorophenyl)-2-pyridin-4-ylacetamide
CID 16787056
N-(5-chloro-2-fluorophenyl)-2-hydroxyacetamide
CID 16769009
N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)acetamide
CID 7961331
N-(5-chloro-2-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 808427
N-(5-chloro-2-hydroxyphenyl)-2-(4-chlorophenyl)acetamide
CID 1262869
N-(2-amino-5-chlorophenyl)-2-phenylacetamide
CID 18071244
2-(4-aminophenyl)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]acetamide
CID 119773164
2-(4-aminophenyl)-N-(2-chloro-4-iodophenyl)acetamide
CID 43713303
N-(5-chloro-2-fluorophenyl)-3-hydroxypropanamide
CID 115138756

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(5-chloro-2-fluorophenyl)acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-(5-chloro-2-fluorophenyl)acetamide (CID 43438160) is 2-(4-aminophenyl)-N-(5-chloro-2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(5-chloro-2-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(5-chloro-2-fluorophenyl)acetamide is Nc1ccc(CC(=O)Nc2cc(Cl)ccc2F)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(5-chloro-2-fluorophenyl)acetamide?
The InChIKey is ALBKVNJZURUELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c15-10-3-6-12(16)13(8-10)18-14(19)7-9-1-4-11(17)5-2-9/h1-6,8H,7,17H2,(H,18,19).
What are the key properties of 2-(4-aminophenyl)-N-(5-chloro-2-fluorophenyl)acetamide?
2-(4-aminophenyl)-N-(5-chloro-2-fluorophenyl)acetamide has a molecular weight of 278.71 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(5-chloro-2-fluorophenyl)acetamide is sourced from PubChem (CID 43438160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).