N-(4-amino-2-chlorophenyl)-2-(2,4-dichlorophenoxy)propanamide

C15H13Cl3N2O2 — CID 110209226

IUPACN-(4-amino-2-chlorophenyl)-2-(2,4-dichlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C15H13Cl3N2O2/c1-8(22-14-5-2-9(16)6-12(14)18)15(21)20-13-4-3-10(19)7-11(13)17/h2-8H,19H2,1H3,(H,20,21)
InChIKeyYZSYCRUCLMTIDK-UHFFFAOYSA-N
MW359.64 g/mol
LogP4.64
Rot. Bonds4

About N-(4-amino-2-chlorophenyl)-2-(2,4-dichlorophenoxy)propanamide

N-(4-amino-2-chlorophenyl)-2-(2,4-dichlorophenoxy)propanamide (PubChem CID 110209226) has the molecular formula C15H13Cl3N2O2 and a molecular weight of 359.64 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-(2,4-dichlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-(2,4-dichlorophenoxy)propanamide
PubChem CID110209226
Molecular FormulaC15H13Cl3N2O2
Molecular Weight359.64 g/mol
Exact Mass358.00
IUPAC NameN-(4-amino-2-chlorophenyl)-2-(2,4-dichlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C15H13Cl3N2O2/c1-8(22-14-5-2-9(16)6-12(14)18)15(21)20-13-4-3-10(19)7-11(13)17/h2-8H,19H2,1H3,(H,20,21)
InChIKeyYZSYCRUCLMTIDK-UHFFFAOYSA-N
XLogP4.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.64
LogP ≤ 54.64
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-(2-chloro-4-fluorophenoxy)-N-(2,4-dichlorophenyl)propanamide
CID 112778697
N-(4-amino-2-chlorophenyl)-2-(4-chlorophenoxy)propanamide
CID 43078576
N-(4-amino-2-chlorophenyl)-2-(3-chlorophenoxy)propanamide
CID 43081960
(2R)-2-(2,4-dichlorophenoxy)-N-(2,3,4-trifluorophenyl)propanamide
CID 2110698
N-(2,4-dichlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 46770459
N-(4-amino-2-chlorophenyl)-2-methoxypropanamide
CID 16788780
(2R)-2-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)propanamide
CID 785428
(2R)-N-(2,4-dichlorophenyl)-2-(2-fluorophenoxy)propanamide
CID 7815023
(2R)-2-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 881150
4-chloro-2-[2-(2,4-dichlorophenoxy)propanoylamino]benzoic acid
CID 2943352
2-[2-(2,4-dichlorophenoxy)propanoylamino]benzamide
CID 3579546
2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzamide
CID 1335501

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-(2,4-dichlorophenoxy)propanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-(2,4-dichlorophenoxy)propanamide (CID 110209226) is N-(4-amino-2-chlorophenyl)-2-(2,4-dichlorophenoxy)propanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-(2,4-dichlorophenoxy)propanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-(2,4-dichlorophenoxy)propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-(2,4-dichlorophenoxy)propanamide?
The InChIKey is YZSYCRUCLMTIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N2O2/c1-8(22-14-5-2-9(16)6-12(14)18)15(21)20-13-4-3-10(19)7-11(13)17/h2-8H,19H2,1H3,(H,20,21).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-(2,4-dichlorophenoxy)propanamide?
N-(4-amino-2-chlorophenyl)-2-(2,4-dichlorophenoxy)propanamide has a molecular weight of 359.64 g/mol, XLogP of 4.64, 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-(2,4-dichlorophenoxy)propanamide is sourced from PubChem (CID 110209226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).