2-chloro-N'-(5-nitronaphthalen-1-yl)ethanimidamide

C12H10ClN3O2 — CID 169367967

IUPAC2-chloro-N'-(5-nitronaphthalen-1-yl)ethanimidamide
SMILESN/C(CCl)=N/c1cccc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C12H10ClN3O2/c13-7-12(14)15-10-5-1-4-9-8(10)3-2-6-11(9)16(17)18/h1-6H,7H2,(H2,14,15)
InChIKeyANCKZVSRDYOBJZ-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.98
Rot. Bonds3

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

2-chloro-N'-(5-nitronaphthalen-1-yl)ethanimidamide (PubChem CID 169367967) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 2-chloro-N'-(5-nitronaphthalen-1-yl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(5-nitronaphthalen-1-yl)ethanimidamide
PubChem CID169367967
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name2-chloro-N'-(5-nitronaphthalen-1-yl)ethanimidamide
SMILESN/C(CCl)=N/c1cccc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C12H10ClN3O2/c13-7-12(14)15-10-5-1-4-9-8(10)3-2-6-11(9)16(17)18/h1-6H,7H2,(H2,14,15)
InChIKeyANCKZVSRDYOBJZ-UHFFFAOYSA-N
XLogP2.98
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-(2-nitro-4-phenoxyphenyl)ethanimidamide
CID 169369365
N'-(2-bromo-4-nitrophenyl)-2-chloroethanimidamide
CID 169365087
methyl N-cyano-N'-(5-nitronaphthalen-1-yl)carbamimidothioate
CID 169363049
N'-(4-bromo-2-nitro-5-phenylmethoxyphenyl)-2-chloroethanimidamide
CID 169366129
4-[(1-amino-2-chloroethylidene)amino]-2-nitrobenzoic acid
CID 169365408
1-nitronaphthalene;hydrate
CID 174470741
2-chloro-N'-(3-chloro-2-methylphenyl)ethanimidamide
CID 169369825
N'-(4-anilino-3-nitrophenyl)-2-chloroethanimidamide
CID 169365206
2-[(1-amino-2-chloroethylidene)amino]-6-fluoro-3-nitrobenzoic acid
CID 169369073
2-chloro-N'-(3-chloro-2-propoxyphenyl)ethanimidamide
CID 169366352
N'-[5-bromo-2-nitro-4-(trifluoromethoxy)phenyl]-2-chloroethanimidamide
CID 169366114
5-nitronaphthalene-1,2-diol
CID 139880098

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(5-nitronaphthalen-1-yl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(5-nitronaphthalen-1-yl)ethanimidamide (CID 169367967) is 2-chloro-N'-(5-nitronaphthalen-1-yl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(5-nitronaphthalen-1-yl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(5-nitronaphthalen-1-yl)ethanimidamide is N/C(CCl)=N/c1cccc2c([N+](=O)[O-])cccc12.
What is the InChIKey of 2-chloro-N'-(5-nitronaphthalen-1-yl)ethanimidamide?
The InChIKey is ANCKZVSRDYOBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c13-7-12(14)15-10-5-1-4-9-8(10)3-2-6-11(9)16(17)18/h1-6H,7H2,(H2,14,15).
What are the key properties of 2-chloro-N'-(5-nitronaphthalen-1-yl)ethanimidamide?
2-chloro-N'-(5-nitronaphthalen-1-yl)ethanimidamide has a molecular weight of 263.68 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(5-nitronaphthalen-1-yl)ethanimidamide is sourced from PubChem (CID 169367967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).