2-chloro-N'-(1,2-dihydroacenaphthylen-5-yl)ethanimidamide

C14H13ClN2 — CID 169369135

IUPAC2-chloro-N'-(1,2-dihydroacenaphthylen-5-yl)ethanimidamide
SMILESN/C(CCl)=N/c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C14H13ClN2/c15-8-13(16)17-12-7-6-10-5-4-9-2-1-3-11(12)14(9)10/h1-3,6-7H,4-5,8H2,(H2,16,17)
InChIKeyFJKQZADVWKEEID-UHFFFAOYSA-N
MW244.72 g/mol
LogP3.17
Rot. Bonds2

About 2-chloro-N'-(1,2-dihydroacenaphthylen-5-yl)ethanimidamide

2-chloro-N'-(1,2-dihydroacenaphthylen-5-yl)ethanimidamide (PubChem CID 169369135) has the molecular formula C14H13ClN2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 2-chloro-N'-(1,2-dihydroacenaphthylen-5-yl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(1,2-dihydroacenaphthylen-5-yl)ethanimidamide
PubChem CID169369135
Molecular FormulaC14H13ClN2
Molecular Weight244.72 g/mol
Exact Mass244.08
IUPAC Name2-chloro-N'-(1,2-dihydroacenaphthylen-5-yl)ethanimidamide
SMILESN/C(CCl)=N/c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C14H13ClN2/c15-8-13(16)17-12-7-6-10-5-4-9-2-1-3-11(12)14(9)10/h1-3,6-7H,4-5,8H2,(H2,16,17)
InChIKeyFJKQZADVWKEEID-UHFFFAOYSA-N
XLogP3.17
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'-(4-cyclopropylnaphthalen-1-yl)ethanimidamide
CID 169365351
1,2-bis(1,2-dihydroacenaphthylen-5-yl)-1-methylguanidine
CID 18751924
1-[1-(4-chlorophenyl)propan-2-yl]-2-(1,2-dihydroacenaphthylen-5-yl)-1-methylguanidine
CID 22675796
2-(1,2-dihydroacenaphthylen-5-yl)-1-[4-(trifluoromethyl)phenyl]guanidine
CID 18752118
2-chloro-N'-(5-nitronaphthalen-1-yl)ethanimidamide
CID 169367967
1-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-1-ylethanimine
CID 71397092
2-chloro-N'-(2,3,4-trichlorophenyl)ethanimidamide
CID 169365543
2-chloro-N'-(3-chloro-2-methylphenyl)ethanimidamide
CID 169369825
2-(1,2-dihydroacenaphthylen-5-yliminomethyl)-6-methylphenol
CID 1224312
2-chloro-N'-(3-chloro-2-propoxyphenyl)ethanimidamide
CID 169366352
2-chloro-N'-(2-cyclopropyl-3-oxo-1H-isoindol-4-yl)ethanimidamide
CID 169366988
1,2-dihydroacenaphthylen-5-ylthiourea
CID 851719

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(1,2-dihydroacenaphthylen-5-yl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(1,2-dihydroacenaphthylen-5-yl)ethanimidamide (CID 169369135) is 2-chloro-N'-(1,2-dihydroacenaphthylen-5-yl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(1,2-dihydroacenaphthylen-5-yl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(1,2-dihydroacenaphthylen-5-yl)ethanimidamide is N/C(CCl)=N/c1ccc2c3c(cccc13)CC2.
What is the InChIKey of 2-chloro-N'-(1,2-dihydroacenaphthylen-5-yl)ethanimidamide?
The InChIKey is FJKQZADVWKEEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2/c15-8-13(16)17-12-7-6-10-5-4-9-2-1-3-11(12)14(9)10/h1-3,6-7H,4-5,8H2,(H2,16,17).
What are the key properties of 2-chloro-N'-(1,2-dihydroacenaphthylen-5-yl)ethanimidamide?
2-chloro-N'-(1,2-dihydroacenaphthylen-5-yl)ethanimidamide has a molecular weight of 244.72 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(1,2-dihydroacenaphthylen-5-yl)ethanimidamide is sourced from PubChem (CID 169369135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).