N-[2-(cycloheptylamino)ethyl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride

C17H25ClF2N2O2 — CID 119619857

IUPACN-[2-(cycloheptylamino)ethyl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride
SMILESCl.O=C(COc1ccc(F)cc1F)NCCNC1CCCCCC1
InChIInChI=1S/C17H24F2N2O2.ClH/c18-13-7-8-16(15(19)11-13)23-12-17(22)21-10-9-20-14-5-3-1-2-4-6-14;/h7-8,11,14,20H,1-6,9-10,12H2,(H,21,22);1H
InChIKeyRPZFTNYVPNADMY-UHFFFAOYSA-N
MW362.85 g/mol
LogP3.19
Rot. Bonds7

About N-[2-(cycloheptylamino)ethyl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride

N-[2-(cycloheptylamino)ethyl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride (PubChem CID 119619857) has the molecular formula C17H25ClF2N2O2 and a molecular weight of 362.85 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride
PubChem CID119619857
Molecular FormulaC17H25ClF2N2O2
Molecular Weight362.85 g/mol
Exact Mass362.16
IUPAC NameN-[2-(cycloheptylamino)ethyl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride
SMILESCl.O=C(COc1ccc(F)cc1F)NCCNC1CCCCCC1
InChIInChI=1S/C17H24F2N2O2.ClH/c18-13-7-8-16(15(19)11-13)23-12-17(22)21-10-9-20-14-5-3-1-2-4-6-14;/h7-8,11,14,20H,1-6,9-10,12H2,(H,21,22);1H
InChIKeyRPZFTNYVPNADMY-UHFFFAOYSA-N
XLogP3.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.85
LogP ≤ 53.19
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

N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide;hydrochloride
CID 119620646
N-[2-(2,4-difluorophenoxy)ethyl]cyclopentanamine
CID 62570847
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide
CID 78960880
3-[[2-(2,4-difluorophenoxy)acetyl]amino]propanoic acid
CID 43170635
N-[2-(cycloheptylamino)ethyl]-2-(4-fluorophenyl)acetamide
CID 78987135
N-[2-(cycloheptylamino)ethyl]-2-(3-fluorophenyl)acetamide;hydrochloride
CID 119261120
2-(2,4-difluorophenoxy)-N-(5-hydroxypentyl)acetamide
CID 107318520
2-(2,4-difluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119391828
N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide
CID 119620665
2-(2,4-difluorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362465
N-[2-(aminomethyl)cyclohexyl]-2-(2,4-difluorophenoxy)acetamide
CID 119610188
2-(2-amino-4-fluorophenoxy)-N-cyclohexylacetamide
CID 55068862

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride (CID 119619857) is N-[2-(cycloheptylamino)ethyl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride is Cl.O=C(COc1ccc(F)cc1F)NCCNC1CCCCCC1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride?
The InChIKey is RPZFTNYVPNADMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O2.ClH/c18-13-7-8-16(15(19)11-13)23-12-17(22)21-10-9-20-14-5-3-1-2-4-6-14;/h7-8,11,14,20H,1-6,9-10,12H2,(H,21,22);1H.
What are the key properties of N-[2-(cycloheptylamino)ethyl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride?
N-[2-(cycloheptylamino)ethyl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride has a molecular weight of 362.85 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119619857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).