4-(2-aminophenoxy)-N-[(4-chlorophenyl)methyl]butanamide

C17H19ClN2O2 — CID 84555813

IUPAC4-(2-aminophenoxy)-N-[(4-chlorophenyl)methyl]butanamide
SMILESNc1ccccc1OCCCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O2/c18-14-9-7-13(8-10-14)12-20-17(21)6-3-11-22-16-5-2-1-4-15(16)19/h1-2,4-5,7-10H,3,6,11-12,19H2,(H,20,21)
InChIKeyDIFMWYDBLMXMJU-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.40
Rot. Bonds7

About 4-(2-aminophenoxy)-N-[(4-chlorophenyl)methyl]butanamide

4-(2-aminophenoxy)-N-[(4-chlorophenyl)methyl]butanamide (PubChem CID 84555813) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 4-(2-aminophenoxy)-N-[(4-chlorophenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(2-aminophenoxy)-N-[(4-chlorophenyl)methyl]butanamide
PubChem CID84555813
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name4-(2-aminophenoxy)-N-[(4-chlorophenyl)methyl]butanamide
SMILESNc1ccccc1OCCCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O2/c18-14-9-7-13(8-10-14)12-20-17(21)6-3-11-22-16-5-2-1-4-15(16)19/h1-2,4-5,7-10H,3,6,11-12,19H2,(H,20,21)
InChIKeyDIFMWYDBLMXMJU-UHFFFAOYSA-N
XLogP3.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-chloro-2-methylphenoxy)-N-[(4-chlorophenyl)methyl]butanamide
CID 2094963
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-phenoxybutanamide
CID 110285273
4-(2-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 171130212
4-(2-aminophenoxy)-N-(5-chloro-2-pyridinyl)butanamide
CID 84551760
7-amino-N-[(4-chlorophenyl)methyl]heptanamide
CID 28738770
N-benzyl-4-(2-ethoxyphenoxy)butanamide
CID 78774394
N-(2-acetamidoethyl)-4-(2-aminophenoxy)butanamide
CID 84555823
N-[(4-cyanophenyl)methyl]-4-(2-fluorophenoxy)butanamide
CID 60549854
4-(2-aminophenoxy)-N-(4-chloro-2-methylphenyl)butanamide
CID 84552445
4-(2-aminophenoxy)-N-(3-chloro-4-fluorophenyl)butanamide
CID 84553692
11-[4-(2-aminophenoxy)butanoylamino]undecanoic acid
CID 84555646
5-[[4-(2-chlorophenoxy)butanoylamino]methyl]furan-2-carboxylic acid
CID 119245785

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenoxy)-N-[(4-chlorophenyl)methyl]butanamide?
The IUPAC name of 4-(2-aminophenoxy)-N-[(4-chlorophenyl)methyl]butanamide (CID 84555813) is 4-(2-aminophenoxy)-N-[(4-chlorophenyl)methyl]butanamide.
What is the SMILES notation for 4-(2-aminophenoxy)-N-[(4-chlorophenyl)methyl]butanamide?
The canonical SMILES for 4-(2-aminophenoxy)-N-[(4-chlorophenyl)methyl]butanamide is Nc1ccccc1OCCCC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 4-(2-aminophenoxy)-N-[(4-chlorophenyl)methyl]butanamide?
The InChIKey is DIFMWYDBLMXMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c18-14-9-7-13(8-10-14)12-20-17(21)6-3-11-22-16-5-2-1-4-15(16)19/h1-2,4-5,7-10H,3,6,11-12,19H2,(H,20,21).
What are the key properties of 4-(2-aminophenoxy)-N-[(4-chlorophenyl)methyl]butanamide?
4-(2-aminophenoxy)-N-[(4-chlorophenyl)methyl]butanamide has a molecular weight of 318.80 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenoxy)-N-[(4-chlorophenyl)methyl]butanamide is sourced from PubChem (CID 84555813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).