3-(3-aminophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide

C15H14ClFN2O2 — CID 61095535

IUPAC3-(3-aminophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
SMILESNc1cccc(OCCC(=O)Nc2ccc(F)cc2Cl)c1
InChIInChI=1S/C15H14ClFN2O2/c16-13-8-10(17)4-5-14(13)19-15(20)6-7-21-12-3-1-2-11(18)9-12/h1-5,8-9H,6-7,18H2,(H,19,20)
InChIKeyPQSLNRJAZMXOQN-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.47
Rot. Bonds5

About 3-(3-aminophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide

3-(3-aminophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide (PubChem CID 61095535) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
PubChem CID61095535
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name3-(3-aminophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
SMILESNc1cccc(OCCC(=O)Nc2ccc(F)cc2Cl)c1
InChIInChI=1S/C15H14ClFN2O2/c16-13-8-10(17)4-5-14(13)19-15(20)6-7-21-12-3-1-2-11(18)9-12/h1-5,8-9H,6-7,18H2,(H,19,20)
InChIKeyPQSLNRJAZMXOQN-UHFFFAOYSA-N
XLogP3.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.47
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

3-(3-aminophenoxy)-N-(2,3-dichlorophenyl)propanamide
CID 61095310
3-(3-aminophenoxy)-N-(4-chloro-2-iodophenyl)propanamide
CID 107624112
N-(3-aminophenyl)-3-(3-fluorophenoxy)propanamide
CID 16792632
3-(3-aminophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 61090468
2-(3-aminophenoxy)-N-(2,5-difluorophenyl)acetamide
CID 61034814
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-phenoxypropanamide
CID 39183994
N-(2-chloro-4-fluorophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 8797671
N-(5-amino-2-methylphenyl)-3-(3-chlorophenoxy)propanamide
CID 28516547
N-(2,3-dichlorophenyl)-3-(4-fluorophenoxy)propanamide
CID 55581596
N-(2-bromo-4-fluorophenyl)-3-phenoxypropanamide
CID 28938605
3-[3-(aminomethyl)phenoxy]-N-(2-chlorophenyl)propanamide
CID 106485193
N-(2-aminophenyl)-3-(4-chloro-3-fluorophenoxy)propanamide
CID 82717901

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide?
The IUPAC name of 3-(3-aminophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide (CID 61095535) is 3-(3-aminophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide.
What is the SMILES notation for 3-(3-aminophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide?
The canonical SMILES for 3-(3-aminophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide is Nc1cccc(OCCC(=O)Nc2ccc(F)cc2Cl)c1.
What is the InChIKey of 3-(3-aminophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide?
The InChIKey is PQSLNRJAZMXOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c16-13-8-10(17)4-5-14(13)19-15(20)6-7-21-12-3-1-2-11(18)9-12/h1-5,8-9H,6-7,18H2,(H,19,20).
What are the key properties of 3-(3-aminophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide?
3-(3-aminophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide has a molecular weight of 308.74 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide is sourced from PubChem (CID 61095535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).