1-amino-N-[3-(2,4-dichlorophenoxy)propyl]cyclopentane-1-carboxamide

C15H20Cl2N2O2 — CID 119306646

IUPAC1-amino-N-[3-(2,4-dichlorophenoxy)propyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCCCOc2ccc(Cl)cc2Cl)CCCC1
InChIInChI=1S/C15H20Cl2N2O2/c16-11-4-5-13(12(17)10-11)21-9-3-8-19-14(20)15(18)6-1-2-7-15/h4-5,10H,1-3,6-9,18H2,(H,19,20)
InChIKeyUTKZQMKRZIDGPO-UHFFFAOYSA-N
MW331.24 g/mol
LogP3.15
Rot. Bonds6

About 1-amino-N-[3-(2,4-dichlorophenoxy)propyl]cyclopentane-1-carboxamide

1-amino-N-[3-(2,4-dichlorophenoxy)propyl]cyclopentane-1-carboxamide (PubChem CID 119306646) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is 1-amino-N-[3-(2,4-dichlorophenoxy)propyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-(2,4-dichlorophenoxy)propyl]cyclopentane-1-carboxamide
PubChem CID119306646
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name1-amino-N-[3-(2,4-dichlorophenoxy)propyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCCCOc2ccc(Cl)cc2Cl)CCCC1
InChIInChI=1S/C15H20Cl2N2O2/c16-11-4-5-13(12(17)10-11)21-9-3-8-19-14(20)15(18)6-1-2-7-15/h4-5,10H,1-3,6-9,18H2,(H,19,20)
InChIKeyUTKZQMKRZIDGPO-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-[3-(4-chloro-2-methylphenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119748063
1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide
CID 119271539
1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119271538
1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119295699
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
1-amino-N-[3-(2,4-dichlorophenyl)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119813570
1-amino-N-[3-(2-methylphenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119317018
1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclopentane-1-carboxamide
CID 119302828
N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide
CID 39401573
4-[3-(2,4-dichlorophenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673180
2-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide
CID 119306648
1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide
CID 119302836

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(2,4-dichlorophenoxy)propyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-(2,4-dichlorophenoxy)propyl]cyclopentane-1-carboxamide (CID 119306646) is 1-amino-N-[3-(2,4-dichlorophenoxy)propyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-(2,4-dichlorophenoxy)propyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-(2,4-dichlorophenoxy)propyl]cyclopentane-1-carboxamide is NC1(C(=O)NCCCOc2ccc(Cl)cc2Cl)CCCC1.
What is the InChIKey of 1-amino-N-[3-(2,4-dichlorophenoxy)propyl]cyclopentane-1-carboxamide?
The InChIKey is UTKZQMKRZIDGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c16-11-4-5-13(12(17)10-11)21-9-3-8-19-14(20)15(18)6-1-2-7-15/h4-5,10H,1-3,6-9,18H2,(H,19,20).
What are the key properties of 1-amino-N-[3-(2,4-dichlorophenoxy)propyl]cyclopentane-1-carboxamide?
1-amino-N-[3-(2,4-dichlorophenoxy)propyl]cyclopentane-1-carboxamide has a molecular weight of 331.24 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(2,4-dichlorophenoxy)propyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119306646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).