N-(3-aminophenyl)-3-(2-chlorophenoxy)propanamide

C15H15ClN2O2 — CID 16787023

IUPACN-(3-aminophenyl)-3-(2-chlorophenoxy)propanamide
SMILESNc1cccc(NC(=O)CCOc2ccccc2Cl)c1
InChIInChI=1S/C15H15ClN2O2/c16-13-6-1-2-7-14(13)20-9-8-15(19)18-12-5-3-4-11(17)10-12/h1-7,10H,8-9,17H2,(H,18,19)
InChIKeyKMGJCLJJZLDJMB-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.33
Rot. Bonds5

About N-(3-aminophenyl)-3-(2-chlorophenoxy)propanamide

N-(3-aminophenyl)-3-(2-chlorophenoxy)propanamide (PubChem CID 16787023) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-(2-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-(2-chlorophenoxy)propanamide
PubChem CID16787023
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC NameN-(3-aminophenyl)-3-(2-chlorophenoxy)propanamide
SMILESNc1cccc(NC(=O)CCOc2ccccc2Cl)c1
InChIInChI=1S/C15H15ClN2O2/c16-13-6-1-2-7-14(13)20-9-8-15(19)18-12-5-3-4-11(17)10-12/h1-7,10H,8-9,17H2,(H,18,19)
InChIKeyKMGJCLJJZLDJMB-UHFFFAOYSA-N
XLogP3.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.33
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-(2-chlorophenoxy)-N-(3-methoxyphenyl)propanamide
CID 39087786
N-(3-aminophenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 16790811
3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 39087955
N-(4-bromophenyl)-3-(2-chlorophenoxy)propanamide
CID 108789381
N-(3-aminophenyl)-3-(2,6-dimethylphenoxy)propanamide
CID 16786452
N-(3-aminophenyl)-3-(3-fluorophenoxy)propanamide
CID 16792632
N-(4-chloro-2-methylphenyl)-3-(2-chlorophenoxy)propanamide
CID 39088317
2-(2-chlorophenoxy)-N-(3-chlorophenyl)acetamide
CID 707250
3-(3-aminophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 61090468
2-(2-chlorophenoxy)ethyl N-(3-chlorophenyl)carbamate
CID 2244784
N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222861
N-(3-aminophenyl)-3-[(2-chlorophenyl)methylsulfanyl]propanamide
CID 103288410

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-(2-chlorophenoxy)propanamide?
The IUPAC name of N-(3-aminophenyl)-3-(2-chlorophenoxy)propanamide (CID 16787023) is N-(3-aminophenyl)-3-(2-chlorophenoxy)propanamide.
What is the SMILES notation for N-(3-aminophenyl)-3-(2-chlorophenoxy)propanamide?
The canonical SMILES for N-(3-aminophenyl)-3-(2-chlorophenoxy)propanamide is Nc1cccc(NC(=O)CCOc2ccccc2Cl)c1.
What is the InChIKey of N-(3-aminophenyl)-3-(2-chlorophenoxy)propanamide?
The InChIKey is KMGJCLJJZLDJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-13-6-1-2-7-14(13)20-9-8-15(19)18-12-5-3-4-11(17)10-12/h1-7,10H,8-9,17H2,(H,18,19).
What are the key properties of N-(3-aminophenyl)-3-(2-chlorophenoxy)propanamide?
N-(3-aminophenyl)-3-(2-chlorophenoxy)propanamide has a molecular weight of 290.75 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3-(2-chlorophenoxy)propanamide is sourced from PubChem (CID 16787023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).