N'-(4-bromo-2,6-dimethylphenyl)-2-chloroethanimidamide

C10H12BrClN2 — CID 169369458

IUPACN'-(4-bromo-2,6-dimethylphenyl)-2-chloroethanimidamide
SMILESCc1cc(Br)cc(C)c1/N=C(/N)CCl
InChIInChI=1S/C10H12BrClN2/c1-6-3-8(11)4-7(2)10(6)14-9(13)5-12/h3-4H,5H2,1-2H3,(H2,13,14)
InChIKeySMSHMQZWCQHCMF-UHFFFAOYSA-N
MW275.58 g/mol
LogP3.29
Rot. Bonds2

About N'-(4-bromo-2,6-dimethylphenyl)-2-chloroethanimidamide

N'-(4-bromo-2,6-dimethylphenyl)-2-chloroethanimidamide (PubChem CID 169369458) has the molecular formula C10H12BrClN2 and a molecular weight of 275.58 g/mol. Its IUPAC name is N'-(4-bromo-2,6-dimethylphenyl)-2-chloroethanimidamide.

Molecular Properties

Compound NameN'-(4-bromo-2,6-dimethylphenyl)-2-chloroethanimidamide
PubChem CID169369458
Molecular FormulaC10H12BrClN2
Molecular Weight275.58 g/mol
Exact Mass273.99
IUPAC NameN'-(4-bromo-2,6-dimethylphenyl)-2-chloroethanimidamide
SMILESCc1cc(Br)cc(C)c1/N=C(/N)CCl
InChIInChI=1S/C10H12BrClN2/c1-6-3-8(11)4-7(2)10(6)14-9(13)5-12/h3-4H,5H2,1-2H3,(H2,13,14)
InChIKeySMSHMQZWCQHCMF-UHFFFAOYSA-N
XLogP3.29
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.58
LogP ≤ 53.29
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'-(4-bromo-2,6-dimethylphenyl)-2-chloroethanimidamide?
The IUPAC name of N'-(4-bromo-2,6-dimethylphenyl)-2-chloroethanimidamide (CID 169369458) is N'-(4-bromo-2,6-dimethylphenyl)-2-chloroethanimidamide.
What is the SMILES notation for N'-(4-bromo-2,6-dimethylphenyl)-2-chloroethanimidamide?
The canonical SMILES for N'-(4-bromo-2,6-dimethylphenyl)-2-chloroethanimidamide is Cc1cc(Br)cc(C)c1/N=C(/N)CCl.
What is the InChIKey of N'-(4-bromo-2,6-dimethylphenyl)-2-chloroethanimidamide?
The InChIKey is SMSHMQZWCQHCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2/c1-6-3-8(11)4-7(2)10(6)14-9(13)5-12/h3-4H,5H2,1-2H3,(H2,13,14).
What are the key properties of N'-(4-bromo-2,6-dimethylphenyl)-2-chloroethanimidamide?
N'-(4-bromo-2,6-dimethylphenyl)-2-chloroethanimidamide has a molecular weight of 275.58 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-2,6-dimethylphenyl)-2-chloroethanimidamide is sourced from PubChem (CID 169369458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).