N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-methylpyrrolidine-1-carboximidamide

C15H19ClFN3 — CID 111456383

IUPACN-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(/NC1CC1c1c(F)cccc1Cl)N1CCCC1
InChIInChI=1S/C15H19ClFN3/c1-18-15(20-7-2-3-8-20)19-13-9-10(13)14-11(16)5-4-6-12(14)17/h4-6,10,13H,2-3,7-9H2,1H3,(H,18,19)
InChIKeyICHKSFRIESVXSI-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.01
Rot. Bonds2

About N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-methylpyrrolidine-1-carboximidamide

N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-methylpyrrolidine-1-carboximidamide (PubChem CID 111456383) has the molecular formula C15H19ClFN3 and a molecular weight of 295.79 g/mol. Its IUPAC name is N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-methylpyrrolidine-1-carboximidamide
PubChem CID111456383
Molecular FormulaC15H19ClFN3
Molecular Weight295.79 g/mol
Exact Mass295.13
IUPAC NameN-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(/NC1CC1c1c(F)cccc1Cl)N1CCCC1
InChIInChI=1S/C15H19ClFN3/c1-18-15(20-7-2-3-8-20)19-13-9-10(13)14-11(16)5-4-6-12(14)17/h4-6,10,13H,2-3,7-9H2,1H3,(H,18,19)
InChIKeyICHKSFRIESVXSI-UHFFFAOYSA-N
XLogP3.01
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109434353
N-[2-(2,6-difluorophenyl)cyclopropyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide
CID 119160750
N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-ethyl-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide
CID 119160786
1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-(furan-3-ylmethyl)-2-methylguanidine
CID 119160912
1-[[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123712
(2R)-2-amino-N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]propanamide;hydrochloride
CID 119333045
1-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]-2-methylguanidine
CID 122082415
1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 111774262
1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111818754
1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-(1,1-dioxothiolan-3-yl)-2-methylguanidine;hydroiodide
CID 111772305
1-[2-(2,6-difluorophenyl)cyclopropyl]-2-methylguanidine;hydroiodide
CID 119147959
1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-2-methyl-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide
CID 111772453

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-methylpyrrolidine-1-carboximidamide?
The IUPAC name of N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-methylpyrrolidine-1-carboximidamide (CID 111456383) is N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-methylpyrrolidine-1-carboximidamide is C/N=C(/NC1CC1c1c(F)cccc1Cl)N1CCCC1.
What is the InChIKey of N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-methylpyrrolidine-1-carboximidamide?
The InChIKey is ICHKSFRIESVXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3/c1-18-15(20-7-2-3-8-20)19-13-9-10(13)14-11(16)5-4-6-12(14)17/h4-6,10,13H,2-3,7-9H2,1H3,(H,18,19).
What are the key properties of N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-methylpyrrolidine-1-carboximidamide?
N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-methylpyrrolidine-1-carboximidamide has a molecular weight of 295.79 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N'-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111456383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).