N'-(2-bromo-6-methylphenyl)-2-chloroethanimidamide

C9H10BrClN2 — CID 169365280

IUPACN'-(2-bromo-6-methylphenyl)-2-chloroethanimidamide
SMILESCc1cccc(Br)c1/N=C(/N)CCl
InChIInChI=1S/C9H10BrClN2/c1-6-3-2-4-7(10)9(6)13-8(12)5-11/h2-4H,5H2,1H3,(H2,12,13)
InChIKeyHPOOQLLQLSEESV-UHFFFAOYSA-N
MW261.55 g/mol
LogP2.99
Rot. Bonds2

About N'-(2-bromo-6-methylphenyl)-2-chloroethanimidamide

N'-(2-bromo-6-methylphenyl)-2-chloroethanimidamide (PubChem CID 169365280) has the molecular formula C9H10BrClN2 and a molecular weight of 261.55 g/mol. Its IUPAC name is N'-(2-bromo-6-methylphenyl)-2-chloroethanimidamide.

Molecular Properties

Compound NameN'-(2-bromo-6-methylphenyl)-2-chloroethanimidamide
PubChem CID169365280
Molecular FormulaC9H10BrClN2
Molecular Weight261.55 g/mol
Exact Mass259.97
IUPAC NameN'-(2-bromo-6-methylphenyl)-2-chloroethanimidamide
SMILESCc1cccc(Br)c1/N=C(/N)CCl
InChIInChI=1S/C9H10BrClN2/c1-6-3-2-4-7(10)9(6)13-8(12)5-11/h2-4H,5H2,1H3,(H2,12,13)
InChIKeyHPOOQLLQLSEESV-UHFFFAOYSA-N
XLogP2.99
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.55
LogP ≤ 52.99
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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Frequently Asked Questions

What is the IUPAC name of N'-(2-bromo-6-methylphenyl)-2-chloroethanimidamide?
The IUPAC name of N'-(2-bromo-6-methylphenyl)-2-chloroethanimidamide (CID 169365280) is N'-(2-bromo-6-methylphenyl)-2-chloroethanimidamide.
What is the SMILES notation for N'-(2-bromo-6-methylphenyl)-2-chloroethanimidamide?
The canonical SMILES for N'-(2-bromo-6-methylphenyl)-2-chloroethanimidamide is Cc1cccc(Br)c1/N=C(/N)CCl.
What is the InChIKey of N'-(2-bromo-6-methylphenyl)-2-chloroethanimidamide?
The InChIKey is HPOOQLLQLSEESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2/c1-6-3-2-4-7(10)9(6)13-8(12)5-11/h2-4H,5H2,1H3,(H2,12,13).
What are the key properties of N'-(2-bromo-6-methylphenyl)-2-chloroethanimidamide?
N'-(2-bromo-6-methylphenyl)-2-chloroethanimidamide has a molecular weight of 261.55 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromo-6-methylphenyl)-2-chloroethanimidamide is sourced from PubChem (CID 169365280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).