7-amino-N-[1-(3-chlorophenyl)cyclopentyl]heptanamide;hydrochloride

C18H28Cl2N2O — CID 119815402

IUPAC7-amino-N-[1-(3-chlorophenyl)cyclopentyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NC1(c2cccc(Cl)c2)CCCC1
InChIInChI=1S/C18H27ClN2O.ClH/c19-16-9-7-8-15(14-16)18(11-4-5-12-18)21-17(22)10-3-1-2-6-13-20;/h7-9,14H,1-6,10-13,20H2,(H,21,22);1H
InChIKeyOVMCSFLONVULRQ-UHFFFAOYSA-N
MW359.34 g/mol
LogP4.56
Rot. Bonds8

About 7-amino-N-[1-(3-chlorophenyl)cyclopentyl]heptanamide;hydrochloride

7-amino-N-[1-(3-chlorophenyl)cyclopentyl]heptanamide;hydrochloride (PubChem CID 119815402) has the molecular formula C18H28Cl2N2O and a molecular weight of 359.34 g/mol. Its IUPAC name is 7-amino-N-[1-(3-chlorophenyl)cyclopentyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[1-(3-chlorophenyl)cyclopentyl]heptanamide;hydrochloride
PubChem CID119815402
Molecular FormulaC18H28Cl2N2O
Molecular Weight359.34 g/mol
Exact Mass358.16
IUPAC Name7-amino-N-[1-(3-chlorophenyl)cyclopentyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NC1(c2cccc(Cl)c2)CCCC1
InChIInChI=1S/C18H27ClN2O.ClH/c19-16-9-7-8-15(14-16)18(11-4-5-12-18)21-17(22)10-3-1-2-6-13-20;/h7-9,14H,1-6,10-13,20H2,(H,21,22);1H
InChIKeyOVMCSFLONVULRQ-UHFFFAOYSA-N
XLogP4.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[1-(3-chlorophenyl)cyclopentyl]acetamide
CID 110459406
7-amino-N-[1-(3-bromophenyl)cyclobutyl]heptanamide;hydrochloride
CID 119744837
4-amino-N-[1-(4-chlorophenyl)cyclopentyl]butanamide
CID 119313669
4-amino-N-[1-(3-methoxyphenyl)cyclopentyl]butanamide
CID 110460844
7-amino-N-[4-(3-fluorophenyl)oxan-4-yl]heptanamide;hydrochloride
CID 119816174
N-[1-(3-chlorophenyl)cyclopentyl]acetamide
CID 110441196
7-amino-N-[1-(4-bromophenyl)cyclobutyl]heptanamide
CID 119740974
N-[1-(3-chlorophenyl)cyclopentyl]-2-(methylcarbamoylamino)acetamide
CID 75393371
[1-(3-chlorophenyl)cyclopropyl]carbamic acid
CID 122529573
7-amino-N-[1-(2-fluorophenyl)cyclopropyl]heptanamide;hydrochloride
CID 119796456
4-amino-N-[1-(4-methoxyphenyl)cyclopentyl]butanamide
CID 119309997
7-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]heptanamide;hydrochloride
CID 119770559

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[1-(3-chlorophenyl)cyclopentyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[1-(3-chlorophenyl)cyclopentyl]heptanamide;hydrochloride (CID 119815402) is 7-amino-N-[1-(3-chlorophenyl)cyclopentyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[1-(3-chlorophenyl)cyclopentyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[1-(3-chlorophenyl)cyclopentyl]heptanamide;hydrochloride is Cl.NCCCCCCC(=O)NC1(c2cccc(Cl)c2)CCCC1.
What is the InChIKey of 7-amino-N-[1-(3-chlorophenyl)cyclopentyl]heptanamide;hydrochloride?
The InChIKey is OVMCSFLONVULRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O.ClH/c19-16-9-7-8-15(14-16)18(11-4-5-12-18)21-17(22)10-3-1-2-6-13-20;/h7-9,14H,1-6,10-13,20H2,(H,21,22);1H.
What are the key properties of 7-amino-N-[1-(3-chlorophenyl)cyclopentyl]heptanamide;hydrochloride?
7-amino-N-[1-(3-chlorophenyl)cyclopentyl]heptanamide;hydrochloride has a molecular weight of 359.34 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[1-(3-chlorophenyl)cyclopentyl]heptanamide;hydrochloride is sourced from PubChem (CID 119815402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).