7-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]heptanamide;hydrochloride

C19H29ClF2N2O — CID 119765182

IUPAC7-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NCC1(c2c(F)cccc2F)CCCC1
InChIInChI=1S/C19H28F2N2O.ClH/c20-15-8-7-9-16(21)18(15)19(11-4-5-12-19)14-23-17(24)10-3-1-2-6-13-22;/h7-9H,1-6,10-14,22H2,(H,23,24);1H
InChIKeyORKWSBBKISNEIR-UHFFFAOYSA-N
MW374.90 g/mol
LogP4.22
Rot. Bonds9

About 7-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]heptanamide;hydrochloride

7-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]heptanamide;hydrochloride (PubChem CID 119765182) has the molecular formula C19H29ClF2N2O and a molecular weight of 374.90 g/mol. Its IUPAC name is 7-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]heptanamide;hydrochloride
PubChem CID119765182
Molecular FormulaC19H29ClF2N2O
Molecular Weight374.90 g/mol
Exact Mass374.19
IUPAC Name7-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NCC1(c2c(F)cccc2F)CCCC1
InChIInChI=1S/C19H28F2N2O.ClH/c20-15-8-7-9-16(21)18(15)19(11-4-5-12-19)14-23-17(24)10-3-1-2-6-13-22;/h7-9H,1-6,10-14,22H2,(H,23,24);1H
InChIKeyORKWSBBKISNEIR-UHFFFAOYSA-N
XLogP4.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.90
LogP ≤ 54.22
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

7-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]heptanamide;hydrochloride
CID 119770559
7-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]heptanamide;hydrochloride
CID 119799163
6-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]hexanamide
CID 110482650
7-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]heptanamide
CID 119769932
N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]acetamide
CID 154775614
(2S)-2-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]propanamide;hydrochloride
CID 119312905
7-amino-N-[(1-benzylcyclobutyl)methyl]heptanamide;hydrochloride
CID 119821633
6-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]hexanamide
CID 110482606
4-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119315672
7-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]heptanamide
CID 119749608
3-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119765192
7-amino-N-[1-(2-fluorophenyl)cyclopropyl]heptanamide;hydrochloride
CID 119796456

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]heptanamide;hydrochloride (CID 119765182) is 7-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]heptanamide;hydrochloride is Cl.NCCCCCCC(=O)NCC1(c2c(F)cccc2F)CCCC1.
What is the InChIKey of 7-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]heptanamide;hydrochloride?
The InChIKey is ORKWSBBKISNEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F2N2O.ClH/c20-15-8-7-9-16(21)18(15)19(11-4-5-12-19)14-23-17(24)10-3-1-2-6-13-22;/h7-9H,1-6,10-14,22H2,(H,23,24);1H.
What are the key properties of 7-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]heptanamide;hydrochloride?
7-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]heptanamide;hydrochloride has a molecular weight of 374.90 g/mol, XLogP of 4.22, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]heptanamide;hydrochloride is sourced from PubChem (CID 119765182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).