N-(2-amino-4,6-dichlorophenyl)-2-heptoxyacetamide

C15H22Cl2N2O2 — CID 43127069

IUPACN-(2-amino-4,6-dichlorophenyl)-2-heptoxyacetamide
SMILESCCCCCCCOCC(=O)Nc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C15H22Cl2N2O2/c1-2-3-4-5-6-7-21-10-14(20)19-15-12(17)8-11(16)9-13(15)18/h8-9H,2-7,10,18H2,1H3,(H,19,20)
InChIKeyPJSYNWRBIDLJMS-UHFFFAOYSA-N
MW333.26 g/mol
LogP4.50
Rot. Bonds9

About N-(2-amino-4,6-dichlorophenyl)-2-heptoxyacetamide

N-(2-amino-4,6-dichlorophenyl)-2-heptoxyacetamide (PubChem CID 43127069) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-2-heptoxyacetamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-2-heptoxyacetamide
PubChem CID43127069
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-2-heptoxyacetamide
SMILESCCCCCCCOCC(=O)Nc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C15H22Cl2N2O2/c1-2-3-4-5-6-7-21-10-14(20)19-15-12(17)8-11(16)9-13(15)18/h8-9H,2-7,10,18H2,1H3,(H,19,20)
InChIKeyPJSYNWRBIDLJMS-UHFFFAOYSA-N
XLogP4.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 54.50
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-4,6-dichlorophenyl)-4-butoxybutanamide
CID 43267515
N-(2-amino-4,6-dichlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide
CID 115941858
N-(2-amino-5-chlorophenyl)-2-heptoxyacetamide
CID 43127087
N-(2-amino-5-chlorophenyl)-2-pentoxyacetamide
CID 43274990
N-(2-amino-4,6-dichlorophenyl)-4-(2-methoxyethoxy)butanamide
CID 29278396
N-(2-amino-6-methylphenyl)-2-heptoxyacetamide
CID 43376791
N-(2-amino-4,6-dichlorophenyl)-4-propylsulfanylbutanamide
CID 29043327
N-(2-amino-4,6-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 29004312
N-(2-amino-4,6-dichlorophenyl)-3-(cyclopentylmethoxy)propanamide
CID 66321942
N-(2-amino-4,6-dichlorophenyl)-3-propylsulfanylpropanamide
CID 29292059
N-(2-amino-4,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 16789822
N-(2-amino-4,6-dichlorophenyl)-2-(oxolan-3-yloxy)acetamide
CID 63556430

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-heptoxyacetamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-heptoxyacetamide (CID 43127069) is N-(2-amino-4,6-dichlorophenyl)-2-heptoxyacetamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-2-heptoxyacetamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-2-heptoxyacetamide is CCCCCCCOCC(=O)Nc1c(N)cc(Cl)cc1Cl.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-2-heptoxyacetamide?
The InChIKey is PJSYNWRBIDLJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O2/c1-2-3-4-5-6-7-21-10-14(20)19-15-12(17)8-11(16)9-13(15)18/h8-9H,2-7,10,18H2,1H3,(H,19,20).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-2-heptoxyacetamide?
N-(2-amino-4,6-dichlorophenyl)-2-heptoxyacetamide has a molecular weight of 333.26 g/mol, XLogP of 4.50, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dichlorophenyl)-2-heptoxyacetamide is sourced from PubChem (CID 43127069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).