N-(2-amino-5-chlorophenyl)-4-phenoxybutanamide

C16H17ClN2O2 — CID 28515757

IUPACN-(2-amino-5-chlorophenyl)-4-phenoxybutanamide
SMILESNc1ccc(Cl)cc1NC(=O)CCCOc1ccccc1
InChIInChI=1S/C16H17ClN2O2/c17-12-8-9-14(18)15(11-12)19-16(20)7-4-10-21-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,18H2,(H,19,20)
InChIKeyPUKGEYRLFLKBSQ-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.72
Rot. Bonds6

About N-(2-amino-5-chlorophenyl)-4-phenoxybutanamide

N-(2-amino-5-chlorophenyl)-4-phenoxybutanamide (PubChem CID 28515757) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-4-phenoxybutanamide
PubChem CID28515757
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-(2-amino-5-chlorophenyl)-4-phenoxybutanamide
SMILESNc1ccc(Cl)cc1NC(=O)CCCOc1ccccc1
InChIInChI=1S/C16H17ClN2O2/c17-12-8-9-14(18)15(11-12)19-16(20)7-4-10-21-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,18H2,(H,19,20)
InChIKeyPUKGEYRLFLKBSQ-UHFFFAOYSA-N
XLogP3.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.72
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

N-(2-aminophenyl)-3-phenoxypropanamide
CID 16790214
N-[2-(3-aminopropanoylamino)phenyl]-4-phenoxybutanamide
CID 82034361
N-(2-benzoyl-4-chlorophenyl)-4-phenoxybutanamide
CID 19172248
N-(2-amino-5-chlorophenyl)-4-(4-methylpentoxy)butanamide
CID 28995438
N-(2-amino-5-chlorophenyl)-2-phenylacetamide
CID 18071244
N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide
CID 18071037
N-(5-chloro-2-fluorophenyl)-4-(4-fluorophenoxy)butanamide
CID 46535270
N-(2-aminophenyl)-4-(4-iodophenoxy)butanamide
CID 43327303
N-(2-amino-5-chlorophenyl)-4-(furan-2-ylmethoxy)butanamide
CID 28534738
4-(2-aminophenoxy)-N-(4-chloro-2-methylphenyl)butanamide
CID 84552445
N-(2-amino-5-chlorophenyl)-3-propoxypropanamide
CID 43247865
N-(2-amino-4,5-dimethylphenyl)-3-phenoxypropanamide
CID 62098253

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-4-phenoxybutanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-4-phenoxybutanamide (CID 28515757) is N-(2-amino-5-chlorophenyl)-4-phenoxybutanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-4-phenoxybutanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-4-phenoxybutanamide is Nc1ccc(Cl)cc1NC(=O)CCCOc1ccccc1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-4-phenoxybutanamide?
The InChIKey is PUKGEYRLFLKBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c17-12-8-9-14(18)15(11-12)19-16(20)7-4-10-21-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,18H2,(H,19,20).
What are the key properties of N-(2-amino-5-chlorophenyl)-4-phenoxybutanamide?
N-(2-amino-5-chlorophenyl)-4-phenoxybutanamide has a molecular weight of 304.78 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-4-phenoxybutanamide is sourced from PubChem (CID 28515757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).