N-(2-amino-5-chlorophenyl)-2-heptoxyacetamide

C15H23ClN2O2 — CID 43127087

IUPACN-(2-amino-5-chlorophenyl)-2-heptoxyacetamide
SMILESCCCCCCCOCC(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C15H23ClN2O2/c1-2-3-4-5-6-9-20-11-15(19)18-14-10-12(16)7-8-13(14)17/h7-8,10H,2-6,9,11,17H2,1H3,(H,18,19)
InChIKeyPUJWFCBETAXKQV-UHFFFAOYSA-N
MW298.81 g/mol
LogP3.85
Rot. Bonds9

About N-(2-amino-5-chlorophenyl)-2-heptoxyacetamide

N-(2-amino-5-chlorophenyl)-2-heptoxyacetamide (PubChem CID 43127087) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-heptoxyacetamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-heptoxyacetamide
PubChem CID43127087
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC NameN-(2-amino-5-chlorophenyl)-2-heptoxyacetamide
SMILESCCCCCCCOCC(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C15H23ClN2O2/c1-2-3-4-5-6-9-20-11-15(19)18-14-10-12(16)7-8-13(14)17/h7-8,10H,2-6,9,11,17H2,1H3,(H,18,19)
InChIKeyPUJWFCBETAXKQV-UHFFFAOYSA-N
XLogP3.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 53.85
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-amino-5-chlorophenyl)-2-pentoxyacetamide
CID 43274990
N-(2-amino-5-chlorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide
CID 103401181
N-(2-amino-5-chlorophenyl)-3-propoxypropanamide
CID 43247865
N-(2-amino-5-chlorophenyl)-2-pentoxypropanamide
CID 43274945
N-(2-amino-4,6-dichlorophenyl)-2-heptoxyacetamide
CID 43127069
N-(2-amino-4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide
CID 103176913
N-(2-amino-5-chlorophenyl)-2-cyclopentyloxyacetamide
CID 16793284
N-(2-amino-4-chlorophenyl)-2-ethoxyacetamide
CID 16791800
N-(2-amino-5-chlorophenyl)-3-pentylsulfinylpropanamide
CID 107753533
N-(2-amino-5-chlorophenyl)-2-cycloheptyloxyacetamide
CID 61069352
N-(5-amino-2-methylphenyl)-2-pentoxyacetamide;hydrochloride
CID 120568568
N-(2-amino-5-chlorophenyl)-4-(4-methylpentoxy)butanamide
CID 28995438

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-heptoxyacetamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-heptoxyacetamide (CID 43127087) is N-(2-amino-5-chlorophenyl)-2-heptoxyacetamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-heptoxyacetamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-heptoxyacetamide is CCCCCCCOCC(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-heptoxyacetamide?
The InChIKey is PUJWFCBETAXKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-2-3-4-5-6-9-20-11-15(19)18-14-10-12(16)7-8-13(14)17/h7-8,10H,2-6,9,11,17H2,1H3,(H,18,19).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-heptoxyacetamide?
N-(2-amino-5-chlorophenyl)-2-heptoxyacetamide has a molecular weight of 298.81 g/mol, XLogP of 3.85, 9 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)-2-heptoxyacetamide is sourced from PubChem (CID 43127087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).