N-[1-(2-amino-5-chlorophenyl)ethenyliminomethyl]ethanimidoyl chloride

C11H11Cl2N3 — CID 130243351

IUPACN-[1-(2-amino-5-chlorophenyl)ethenyliminomethyl]ethanimidoyl chloride
SMILESC=C(/N=C/N=C(\C)Cl)c1cc(Cl)ccc1N
InChIInChI=1S/C11H11Cl2N3/c1-7(15-6-16-8(2)12)10-5-9(13)3-4-11(10)14/h3-6H,1,14H2,2H3/b15-6+,16-8+
InChIKeyHPVCUZYDAZVNEX-QTPARJOPSA-N
MW256.14 g/mol
LogP3.58
Rot. Bonds3

About N-[1-(2-amino-5-chlorophenyl)ethenyliminomethyl]ethanimidoyl chloride

N-[1-(2-amino-5-chlorophenyl)ethenyliminomethyl]ethanimidoyl chloride (PubChem CID 130243351) has the molecular formula C11H11Cl2N3 and a molecular weight of 256.14 g/mol. Its IUPAC name is N-[1-(2-amino-5-chlorophenyl)ethenyliminomethyl]ethanimidoyl chloride.

Molecular Properties

Compound NameN-[1-(2-amino-5-chlorophenyl)ethenyliminomethyl]ethanimidoyl chloride
PubChem CID130243351
Molecular FormulaC11H11Cl2N3
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC NameN-[1-(2-amino-5-chlorophenyl)ethenyliminomethyl]ethanimidoyl chloride
SMILESC=C(/N=C/N=C(\C)Cl)c1cc(Cl)ccc1N
InChIInChI=1S/C11H11Cl2N3/c1-7(15-6-16-8(2)12)10-5-9(13)3-4-11(10)14/h3-6H,1,14H2,2H3/b15-6+,16-8+
InChIKeyHPVCUZYDAZVNEX-QTPARJOPSA-N
XLogP3.58
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

S-methyl 2-amino-5-chlorobenzenecarbothioate
CID 134117277
2-amino-5-chloro-N-(diaminomethylidene)benzamide
CID 11806026
4-chloro-2-[(E)-C-methyl-N-(N-methylanilino)carbonimidoyl]aniline
CID 89327073
5-chloro-2-(2-methylprop-2-enyl)aniline
CID 130018936
(2-amino-5-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone
CID 106880126
N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-4-chloro-N-methylbenzamide
CID 89326911
S-propan-2-yl 2-amino-5-chlorobenzenecarbothioate
CID 134123075
4-chloro-2-(2-methylprop-2-enylsulfanyl)aniline
CID 79528297
4-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-3-methyl-1H-1,2,4-triazol-5-one
CID 89327191
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone
CID 18069
3-amino-1-(2-amino-5-chlorophenyl)butan-1-one
CID 105466420
2-[(1S)-1-amino-3-methylbut-3-enyl]-4-chloroaniline
CID 130997859

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-5-chlorophenyl)ethenyliminomethyl]ethanimidoyl chloride?
The IUPAC name of N-[1-(2-amino-5-chlorophenyl)ethenyliminomethyl]ethanimidoyl chloride (CID 130243351) is N-[1-(2-amino-5-chlorophenyl)ethenyliminomethyl]ethanimidoyl chloride.
What is the SMILES notation for N-[1-(2-amino-5-chlorophenyl)ethenyliminomethyl]ethanimidoyl chloride?
The canonical SMILES for N-[1-(2-amino-5-chlorophenyl)ethenyliminomethyl]ethanimidoyl chloride is C=C(/N=C/N=C(\C)Cl)c1cc(Cl)ccc1N.
What is the InChIKey of N-[1-(2-amino-5-chlorophenyl)ethenyliminomethyl]ethanimidoyl chloride?
The InChIKey is HPVCUZYDAZVNEX-QTPARJOPSA-N. The full InChI is InChI=1S/C11H11Cl2N3/c1-7(15-6-16-8(2)12)10-5-9(13)3-4-11(10)14/h3-6H,1,14H2,2H3/b15-6+,16-8+.
What are the key properties of N-[1-(2-amino-5-chlorophenyl)ethenyliminomethyl]ethanimidoyl chloride?
N-[1-(2-amino-5-chlorophenyl)ethenyliminomethyl]ethanimidoyl chloride has a molecular weight of 256.14 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-5-chlorophenyl)ethenyliminomethyl]ethanimidoyl chloride is sourced from PubChem (CID 130243351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).