N-(2-amino-4,6-dichlorophenyl)-3-(cyclopentylmethoxy)propanamide

C15H20Cl2N2O2 — CID 66321942

IUPACN-(2-amino-4,6-dichlorophenyl)-3-(cyclopentylmethoxy)propanamide
SMILESNc1cc(Cl)cc(Cl)c1NC(=O)CCOCC1CCCC1
InChIInChI=1S/C15H20Cl2N2O2/c16-11-7-12(17)15(13(18)8-11)19-14(20)5-6-21-9-10-3-1-2-4-10/h7-8,10H,1-6,9,18H2,(H,19,20)
InChIKeyRHTZQFPMXLHHKW-UHFFFAOYSA-N
MW331.24 g/mol
LogP4.11
Rot. Bonds6

About N-(2-amino-4,6-dichlorophenyl)-3-(cyclopentylmethoxy)propanamide

N-(2-amino-4,6-dichlorophenyl)-3-(cyclopentylmethoxy)propanamide (PubChem CID 66321942) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-3-(cyclopentylmethoxy)propanamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-3-(cyclopentylmethoxy)propanamide
PubChem CID66321942
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-3-(cyclopentylmethoxy)propanamide
SMILESNc1cc(Cl)cc(Cl)c1NC(=O)CCOCC1CCCC1
InChIInChI=1S/C15H20Cl2N2O2/c16-11-7-12(17)15(13(18)8-11)19-14(20)5-6-21-9-10-3-1-2-4-10/h7-8,10H,1-6,9,18H2,(H,19,20)
InChIKeyRHTZQFPMXLHHKW-UHFFFAOYSA-N
XLogP4.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 54.11
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)-3-cyclohexylsulfanylpropanamide
CID 60886349
N-(2-amino-4,6-dichlorophenyl)-4-(2-methoxyethoxy)butanamide
CID 29278396
N-(2-amino-4,6-dichlorophenyl)-4-butoxybutanamide
CID 43267515
N-(5-amino-2-fluorophenyl)-3-(cyclopentylmethoxy)propanamide
CID 66322587
N-(2-amino-4,6-dichlorophenyl)-2-heptoxyacetamide
CID 43127069
N-(2-amino-4,6-dichlorophenyl)-4-(oxolan-3-yloxy)butanamide
CID 63557212
N-(5-amino-2-methylphenyl)-3-(cyclopentylmethoxy)propanamide
CID 66322376
N-(2-amino-4,6-dichlorophenyl)-2-[cyclopentyl(ethyl)amino]acetamide
CID 43540670
N-(2-amino-4,6-dichlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43590065
N-(2-amino-4,6-dichlorophenyl)-3-propylsulfanylpropanamide
CID 29292059
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-cyclopentylacetate
CID 7722473
N-(2-amino-4,6-dichlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide
CID 115941858

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-3-(cyclopentylmethoxy)propanamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-3-(cyclopentylmethoxy)propanamide (CID 66321942) is N-(2-amino-4,6-dichlorophenyl)-3-(cyclopentylmethoxy)propanamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-3-(cyclopentylmethoxy)propanamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-3-(cyclopentylmethoxy)propanamide is Nc1cc(Cl)cc(Cl)c1NC(=O)CCOCC1CCCC1.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-3-(cyclopentylmethoxy)propanamide?
The InChIKey is RHTZQFPMXLHHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c16-11-7-12(17)15(13(18)8-11)19-14(20)5-6-21-9-10-3-1-2-4-10/h7-8,10H,1-6,9,18H2,(H,19,20).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-3-(cyclopentylmethoxy)propanamide?
N-(2-amino-4,6-dichlorophenyl)-3-(cyclopentylmethoxy)propanamide has a molecular weight of 331.24 g/mol, XLogP of 4.11, 6 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)-3-(cyclopentylmethoxy)propanamide is sourced from PubChem (CID 66321942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).