3-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]cyclopentane-1-carboxamide;hydrochloride

C18H25ClF2N2O — CID 119765192

IUPAC3-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)NCC2(c3c(F)cccc3F)CCCC2)C1
InChIInChI=1S/C18H24F2N2O.ClH/c19-14-4-3-5-15(20)16(14)18(8-1-2-9-18)11-22-17(23)12-6-7-13(21)10-12;/h3-5,12-13H,1-2,6-11,21H2,(H,22,23);1H
InChIKeyGRMNLCSFVFFYQI-UHFFFAOYSA-N
MW358.86 g/mol
LogP3.44
Rot. Bonds4

About 3-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119765192) has the molecular formula C18H25ClF2N2O and a molecular weight of 358.86 g/mol. Its IUPAC name is 3-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119765192
Molecular FormulaC18H25ClF2N2O
Molecular Weight358.86 g/mol
Exact Mass358.16
IUPAC Name3-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)NCC2(c3c(F)cccc3F)CCCC2)C1
InChIInChI=1S/C18H24F2N2O.ClH/c19-14-4-3-5-15(20)16(14)18(8-1-2-9-18)11-22-17(23)12-6-7-13(21)10-12;/h3-5,12-13H,1-2,6-11,21H2,(H,22,23);1H
InChIKeyGRMNLCSFVFFYQI-UHFFFAOYSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.86
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(1-phenylcyclopentyl)methyl]cyclopentane-1-carboxamide
CID 119698154
3-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119799668
3-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119731085
3-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide
CID 119800146
N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]acetamide
CID 154775614
(2S)-2-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]propanamide;hydrochloride
CID 119312905
3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119782648
3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119786274
3-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119749889
3-amino-N-[(1-ethylcyclobutyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119782141
3-amino-N-[2-(2-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 66031268
1-(cyclopropylmethyl)-3-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-1-methylurea
CID 86875302

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]cyclopentane-1-carboxamide;hydrochloride (CID 119765192) is 3-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]cyclopentane-1-carboxamide;hydrochloride is Cl.NC1CCC(C(=O)NCC2(c3c(F)cccc3F)CCCC2)C1.
What is the InChIKey of 3-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is GRMNLCSFVFFYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O.ClH/c19-14-4-3-5-15(20)16(14)18(8-1-2-9-18)11-22-17(23)12-6-7-13(21)10-12;/h3-5,12-13H,1-2,6-11,21H2,(H,22,23);1H.
What are the key properties of 3-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 358.86 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119765192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).