N-(4-amino-2-chlorophenyl)-2-(3-chlorophenoxy)propanamide

C15H14Cl2N2O2 — CID 43081960

IUPACN-(4-amino-2-chlorophenyl)-2-(3-chlorophenoxy)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c1-9(21-12-4-2-3-10(16)7-12)15(20)19-14-6-5-11(18)8-13(14)17/h2-9H,18H2,1H3,(H,19,20)
InChIKeyRUBCUZJRRGZSJO-UHFFFAOYSA-N
MW325.19 g/mol
LogP3.98
Rot. Bonds4

About N-(4-amino-2-chlorophenyl)-2-(3-chlorophenoxy)propanamide

N-(4-amino-2-chlorophenyl)-2-(3-chlorophenoxy)propanamide (PubChem CID 43081960) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.19 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-(3-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-(3-chlorophenoxy)propanamide
PubChem CID43081960
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.19 g/mol
Exact Mass324.04
IUPAC NameN-(4-amino-2-chlorophenyl)-2-(3-chlorophenoxy)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c1-9(21-12-4-2-3-10(16)7-12)15(20)19-14-6-5-11(18)8-13(14)17/h2-9H,18H2,1H3,(H,19,20)
InChIKeyRUBCUZJRRGZSJO-UHFFFAOYSA-N
XLogP3.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 53.98
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-(4-amino-2-chlorophenyl)-2-(4-chlorophenoxy)propanamide
CID 43078576
(2S)-2-(3-chlorophenoxy)-N-(2-chlorophenyl)propanamide
CID 966242
2-(3-aminophenoxy)-N-(2-chlorophenyl)propanamide
CID 82027601
N-(4-amino-2-chlorophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 110209226
N-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)propanamide
CID 19203915
N-(2-amino-4-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 62227599
N-(4-amino-2-chlorophenyl)-2-methoxypropanamide
CID 16788780
N-(2-bromo-3-chlorophenyl)-2-(3-chlorophenoxy)propanamide
CID 103479982
N-(2,4-dichlorophenyl)-2-(3-ethylphenoxy)propanamide
CID 53267195
N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 134019227
2-(3-chlorophenoxy)-N-(2,4-dibromophenyl)propanamide
CID 5189907
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-(3-chlorophenoxy)propanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-(3-chlorophenoxy)propanamide (CID 43081960) is N-(4-amino-2-chlorophenyl)-2-(3-chlorophenoxy)propanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-(3-chlorophenoxy)propanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-(3-chlorophenoxy)propanamide is CC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-(3-chlorophenoxy)propanamide?
The InChIKey is RUBCUZJRRGZSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-9(21-12-4-2-3-10(16)7-12)15(20)19-14-6-5-11(18)8-13(14)17/h2-9H,18H2,1H3,(H,19,20).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-(3-chlorophenoxy)propanamide?
N-(4-amino-2-chlorophenyl)-2-(3-chlorophenoxy)propanamide has a molecular weight of 325.19 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-(3-chlorophenoxy)propanamide is sourced from PubChem (CID 43081960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).