2-(2-chloro-6-fluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride

C14H19Cl2FN2O — CID 119433671

IUPAC2-(2-chloro-6-fluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCNCCCNC(=O)C1CC1c1c(F)cccc1Cl.Cl
InChIInChI=1S/C14H18ClFN2O.ClH/c1-17-6-3-7-18-14(19)10-8-9(10)13-11(15)4-2-5-12(13)16;/h2,4-5,9-10,17H,3,6-8H2,1H3,(H,18,19);1H
InChIKeyVSPUJBUCXWMSNC-UHFFFAOYSA-N
MW321.22 g/mol
LogP2.73
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride

2-(2-chloro-6-fluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119433671) has the molecular formula C14H19Cl2FN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119433671
Molecular FormulaC14H19Cl2FN2O
Molecular Weight321.22 g/mol
Exact Mass320.09
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCNCCCNC(=O)C1CC1c1c(F)cccc1Cl.Cl
InChIInChI=1S/C14H18ClFN2O.ClH/c1-17-6-3-7-18-14(19)10-8-9(10)13-11(15)4-2-5-12(13)16;/h2,4-5,9-10,17H,3,6-8H2,1H3,(H,18,19);1H
InChIKeyVSPUJBUCXWMSNC-UHFFFAOYSA-N
XLogP2.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 52.73
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-(2,6-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
CID 119431264
2-(2,4-dichlorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119429856
2-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
CID 119432498
2-(3,4-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
CID 119433012
N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119568012
2-(2-chloro-6-fluorophenyl)cyclopropane-1-carboxylic acid
CID 43810289
3-[[(1S,2S)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704672
[2-(2-chloro-6-fluorophenyl)cyclopropyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546451
trans-(1S,2S)-2-(2-chloro-6-fluorophenyl)-N-[(5-hydroxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 164642532
[2-(2-chloro-6-fluorophenyl)cyclopropyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119651721
N-[2-(4-aminophenyl)ethyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119548350
N-(2-amino-2-ethylbutyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119641296

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride (CID 119433671) is 2-(2-chloro-6-fluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride is CNCCCNC(=O)C1CC1c1c(F)cccc1Cl.Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is VSPUJBUCXWMSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O.ClH/c1-17-6-3-7-18-14(19)10-8-9(10)13-11(15)4-2-5-12(13)16;/h2,4-5,9-10,17H,3,6-8H2,1H3,(H,18,19);1H.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride?
2-(2-chloro-6-fluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 321.22 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119433671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).