2-chloro-N'-[2-(2-methylphenyl)phenyl]ethanimidamide

C15H15ClN2 — CID 169367126

IUPAC2-chloro-N'-[2-(2-methylphenyl)phenyl]ethanimidamide
SMILESCc1ccccc1-c1ccccc1/N=C(/N)CCl
InChIInChI=1S/C15H15ClN2/c1-11-6-2-3-7-12(11)13-8-4-5-9-14(13)18-15(17)10-16/h2-9H,10H2,1H3,(H2,17,18)
InChIKeyJFQQHKJAGOLJMK-UHFFFAOYSA-N
MW258.75 g/mol
LogP3.89
Rot. Bonds3

About 2-chloro-N'-[2-(2-methylphenyl)phenyl]ethanimidamide

2-chloro-N'-[2-(2-methylphenyl)phenyl]ethanimidamide (PubChem CID 169367126) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 2-chloro-N'-[2-(2-methylphenyl)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[2-(2-methylphenyl)phenyl]ethanimidamide
PubChem CID169367126
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name2-chloro-N'-[2-(2-methylphenyl)phenyl]ethanimidamide
SMILESCc1ccccc1-c1ccccc1/N=C(/N)CCl
InChIInChI=1S/C15H15ClN2/c1-11-6-2-3-7-12(11)13-8-4-5-9-14(13)18-15(17)10-16/h2-9H,10H2,1H3,(H2,17,18)
InChIKeyJFQQHKJAGOLJMK-UHFFFAOYSA-N
XLogP3.89
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 53.89
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'-[2-[2-(trifluoromethoxy)phenyl]phenyl]ethanimidamide
CID 169367084
2-chloro-N'-(3-chloro-2-methylphenyl)ethanimidamide
CID 169369825
2,2,2-trifluoro-N-[2-(2-methylphenyl)phenyl]ethanimidoyl chloride
CID 135072828
2-chloro-N'-[2-(1,3-oxazol-2-yl)phenyl]ethanimidamide
CID 169368969
2-chloro-N'-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethanimidamide
CID 169367566
2-chloro-N'-(3-fluoro-2,4-dimethylphenyl)ethanimidamide
CID 169368780
2-chloro-N'-(2,4-dimethylphenyl)ethanimidamide
CID 169365317
N'-(2-methylphenyl)propanimidamide;dihydrochloride
CID 175785501
2-chloro-N'-(2-methyl-4-phenyldiazenylphenyl)ethanimidamide
CID 169367592
N'-(5-bromo-2-methylphenyl)-2-chloroethanimidamide
CID 169369563
N'-(2-butoxyphenyl)-2-chloroethanimidamide
CID 169368773
N'-(2-bromo-6-methylphenyl)-2-chloroethanimidamide
CID 169365280

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-(2-methylphenyl)phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[2-(2-methylphenyl)phenyl]ethanimidamide (CID 169367126) is 2-chloro-N'-[2-(2-methylphenyl)phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[2-(2-methylphenyl)phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[2-(2-methylphenyl)phenyl]ethanimidamide is Cc1ccccc1-c1ccccc1/N=C(/N)CCl.
What is the InChIKey of 2-chloro-N'-[2-(2-methylphenyl)phenyl]ethanimidamide?
The InChIKey is JFQQHKJAGOLJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2/c1-11-6-2-3-7-12(11)13-8-4-5-9-14(13)18-15(17)10-16/h2-9H,10H2,1H3,(H2,17,18).
What are the key properties of 2-chloro-N'-[2-(2-methylphenyl)phenyl]ethanimidamide?
2-chloro-N'-[2-(2-methylphenyl)phenyl]ethanimidamide has a molecular weight of 258.75 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-(2-methylphenyl)phenyl]ethanimidamide is sourced from PubChem (CID 169367126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).