2-chloro-N'-(2,3-dihydro-1H-isoindol-5-yl)ethanimidamide

C10H12ClN3 — CID 169367360

IUPAC2-chloro-N'-(2,3-dihydro-1H-isoindol-5-yl)ethanimidamide
SMILESN/C(CCl)=N/c1ccc2c(c1)CNC2
InChIInChI=1S/C10H12ClN3/c11-4-10(12)14-9-2-1-7-5-13-6-8(7)3-9/h1-3,13H,4-6H2,(H2,12,14)
InChIKeyVUICKNMEAFRUNI-UHFFFAOYSA-N
MW209.68 g/mol
LogP1.52
Rot. Bonds2

About 2-chloro-N'-(2,3-dihydro-1H-isoindol-5-yl)ethanimidamide

2-chloro-N'-(2,3-dihydro-1H-isoindol-5-yl)ethanimidamide (PubChem CID 169367360) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 2-chloro-N'-(2,3-dihydro-1H-isoindol-5-yl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(2,3-dihydro-1H-isoindol-5-yl)ethanimidamide
PubChem CID169367360
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name2-chloro-N'-(2,3-dihydro-1H-isoindol-5-yl)ethanimidamide
SMILESN/C(CCl)=N/c1ccc2c(c1)CNC2
InChIInChI=1S/C10H12ClN3/c11-4-10(12)14-9-2-1-7-5-13-6-8(7)3-9/h1-3,13H,4-6H2,(H2,12,14)
InChIKeyVUICKNMEAFRUNI-UHFFFAOYSA-N
XLogP1.52
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N'-(2-oxo-1,3-dihydroinden-5-yl)ethanimidamide
CID 169369108
2-chloro-N'-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanimidamide
CID 169369130
2-chloro-N'-(4-cyclopropylphenyl)ethanimidamide
CID 169366596
2-chloro-N'-(3-fluorophenyl)ethanimidamide
CID 169368865
4-[(1-amino-2-chloroethylidene)amino]benzamide
CID 169369705
2-chloro-N'-(3,5-difluoro-4-hydroxyphenyl)ethanimidamide
CID 169367099
N'-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)-2-chloroethanimidamide
CID 169368429
N'-[4-bromo-3-(trifluoromethyl)phenyl]-2-chloroethanimidamide
CID 169364970
N'-[4-(4-bromophenyl)phenyl]-2-chloroethanimidamide
CID 169369732
2-chloro-N'-(3-cyanophenyl)ethanimidamide
CID 151835289
N'-(1,3-dihydro-2-benzofuran-5-yl)propanimidamide
CID 130500025
2-chloro-N'-(3-propan-2-ylphenyl)ethanimidamide
CID 169369579

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(2,3-dihydro-1H-isoindol-5-yl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(2,3-dihydro-1H-isoindol-5-yl)ethanimidamide (CID 169367360) is 2-chloro-N'-(2,3-dihydro-1H-isoindol-5-yl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(2,3-dihydro-1H-isoindol-5-yl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(2,3-dihydro-1H-isoindol-5-yl)ethanimidamide is N/C(CCl)=N/c1ccc2c(c1)CNC2.
What is the InChIKey of 2-chloro-N'-(2,3-dihydro-1H-isoindol-5-yl)ethanimidamide?
The InChIKey is VUICKNMEAFRUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c11-4-10(12)14-9-2-1-7-5-13-6-8(7)3-9/h1-3,13H,4-6H2,(H2,12,14).
What are the key properties of 2-chloro-N'-(2,3-dihydro-1H-isoindol-5-yl)ethanimidamide?
2-chloro-N'-(2,3-dihydro-1H-isoindol-5-yl)ethanimidamide has a molecular weight of 209.68 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(2,3-dihydro-1H-isoindol-5-yl)ethanimidamide is sourced from PubChem (CID 169367360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).