2-(4-chlorophenyl)-2-(3,3-difluorocyclopentyl)ethanimidamide

C13H15ClF2N2 — CID 150500954

IUPAC2-(4-chlorophenyl)-2-(3,3-difluorocyclopentyl)ethanimidamide
SMILES[H]/N=C(\N)C(c1ccc(Cl)cc1)C1CCC(F)(F)C1
InChIInChI=1S/C13H15ClF2N2/c14-10-3-1-8(2-4-10)11(12(17)18)9-5-6-13(15,16)7-9/h1-4,9,11H,5-7H2,(H3,17,18)
InChIKeyHXUQUIWALDLDIG-UHFFFAOYSA-N
MW272.73 g/mol
LogP3.79
Rot. Bonds3

About 2-(4-chlorophenyl)-2-(3,3-difluorocyclopentyl)ethanimidamide

2-(4-chlorophenyl)-2-(3,3-difluorocyclopentyl)ethanimidamide (PubChem CID 150500954) has the molecular formula C13H15ClF2N2 and a molecular weight of 272.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(3,3-difluorocyclopentyl)ethanimidamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(3,3-difluorocyclopentyl)ethanimidamide
PubChem CID150500954
Molecular FormulaC13H15ClF2N2
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name2-(4-chlorophenyl)-2-(3,3-difluorocyclopentyl)ethanimidamide
SMILES[H]/N=C(\N)C(c1ccc(Cl)cc1)C1CCC(F)(F)C1
InChIInChI=1S/C13H15ClF2N2/c14-10-3-1-8(2-4-10)11(12(17)18)9-5-6-13(15,16)7-9/h1-4,9,11H,5-7H2,(H3,17,18)
InChIKeyHXUQUIWALDLDIG-UHFFFAOYSA-N
XLogP3.79
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 53.79
H-Bond Donors ≤ 52
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

(2S)-2-(3,3-difluorocyclopentyl)-2-phenylacetic acid
CID 142025460
2-(4-bromophenyl)-2-(3,3-difluorocyclopentyl)acetic acid
CID 166456570
2-(4-chlorophenyl)-2-(4-fluoro-4-phenylcyclohexyl)acetamide
CID 142798992
tert-butyl 2-(3,3-difluorocyclopentyl)-2-(4-methylphenyl)acetate
CID 58136426
N-(6-chloro-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-[(Z)-N'-(methylamino)carbamimidoyl]phenyl]acetamide
CID 167286794
2-(4-chlorophenyl)-2-morpholin-4-ylethanimidamide
CID 91757020
N-(5-chloro-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide
CID 166456724
(5S)-N-[(R)-(4-chlorophenyl)-[(1S)-3,3-difluorocyclopentyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 167528065
[(1R)-1-(4-chlorophenyl)ethyl] carbamimidothioate
CID 95914094
2-(4-chlorophenyl)-2-(2,2-difluorocyclopentyl)acetic acid
CID 58288424
[(5-chloro-1-benzofuran-2-yl)-(3,3-difluorocyclopentyl)methyl]hydrazine
CID 114217007
(2,5-dichlorophenyl)-(4,4-difluorocyclohexyl)methanamine
CID 105142294

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(3,3-difluorocyclopentyl)ethanimidamide?
The IUPAC name of 2-(4-chlorophenyl)-2-(3,3-difluorocyclopentyl)ethanimidamide (CID 150500954) is 2-(4-chlorophenyl)-2-(3,3-difluorocyclopentyl)ethanimidamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(3,3-difluorocyclopentyl)ethanimidamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-(3,3-difluorocyclopentyl)ethanimidamide is [H]/N=C(\N)C(c1ccc(Cl)cc1)C1CCC(F)(F)C1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(3,3-difluorocyclopentyl)ethanimidamide?
The InChIKey is HXUQUIWALDLDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF2N2/c14-10-3-1-8(2-4-10)11(12(17)18)9-5-6-13(15,16)7-9/h1-4,9,11H,5-7H2,(H3,17,18).
What are the key properties of 2-(4-chlorophenyl)-2-(3,3-difluorocyclopentyl)ethanimidamide?
2-(4-chlorophenyl)-2-(3,3-difluorocyclopentyl)ethanimidamide has a molecular weight of 272.73 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(3,3-difluorocyclopentyl)ethanimidamide is sourced from PubChem (CID 150500954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).