N'-(2-bromo-4-ethylphenyl)-2-chloroethanimidamide

C10H12BrClN2 — CID 169365471

IUPACN'-(2-bromo-4-ethylphenyl)-2-chloroethanimidamide
SMILESCCc1ccc(/N=C(/N)CCl)c(Br)c1
InChIInChI=1S/C10H12BrClN2/c1-2-7-3-4-9(8(11)5-7)14-10(13)6-12/h3-5H,2,6H2,1H3,(H2,13,14)
InChIKeyMJXTUUXBZZRGSZ-UHFFFAOYSA-N
MW275.58 g/mol
LogP3.24
Rot. Bonds3

About N'-(2-bromo-4-ethylphenyl)-2-chloroethanimidamide

N'-(2-bromo-4-ethylphenyl)-2-chloroethanimidamide (PubChem CID 169365471) has the molecular formula C10H12BrClN2 and a molecular weight of 275.58 g/mol. Its IUPAC name is N'-(2-bromo-4-ethylphenyl)-2-chloroethanimidamide.

Molecular Properties

Compound NameN'-(2-bromo-4-ethylphenyl)-2-chloroethanimidamide
PubChem CID169365471
Molecular FormulaC10H12BrClN2
Molecular Weight275.58 g/mol
Exact Mass273.99
IUPAC NameN'-(2-bromo-4-ethylphenyl)-2-chloroethanimidamide
SMILESCCc1ccc(/N=C(/N)CCl)c(Br)c1
InChIInChI=1S/C10H12BrClN2/c1-2-7-3-4-9(8(11)5-7)14-10(13)6-12/h3-5H,2,6H2,1H3,(H2,13,14)
InChIKeyMJXTUUXBZZRGSZ-UHFFFAOYSA-N
XLogP3.24
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.58
LogP ≤ 53.24
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

N'-(2-bromo-4-propan-2-ylphenyl)-2-chloroethanimidamide
CID 169365341
2-chloro-N'-(2,5-dibromo-4-methylphenyl)ethanimidamide
CID 169368149
N'-(5-bromo-2-methylphenyl)-2-chloroethanimidamide
CID 169369563
2-chloro-N'-(2,4-dimethylphenyl)ethanimidamide
CID 169365317
N'-(5-bromo-2-hydroxyphenyl)-2-chloroethanimidamide
CID 169365135
N'-[4-bromo-2-(difluoromethoxy)phenyl]-2-chloroethanimidamide
CID 169366176
2-chloro-N'-(2,3,4-trifluorophenyl)ethanimidamide
CID 169364913
N'-(5-bromo-2-chloro-3-methylphenyl)-2-chloroethanimidamide
CID 169366991
2-chloro-N'-(3-fluoro-2,4-dimethylphenyl)ethanimidamide
CID 169368780
2-chloro-N'-(2,3,4-trichlorophenyl)ethanimidamide
CID 169365543
N'-[3-bromo-2-(difluoromethoxy)-5-fluorophenyl]-2-chloroethanimidamide
CID 169366376
2-chloro-N'-[4-propan-2-yl-2-(trifluoromethyl)phenyl]ethanimidamide
CID 169365282

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromo-4-ethylphenyl)-2-chloroethanimidamide?
The IUPAC name of N'-(2-bromo-4-ethylphenyl)-2-chloroethanimidamide (CID 169365471) is N'-(2-bromo-4-ethylphenyl)-2-chloroethanimidamide.
What is the SMILES notation for N'-(2-bromo-4-ethylphenyl)-2-chloroethanimidamide?
The canonical SMILES for N'-(2-bromo-4-ethylphenyl)-2-chloroethanimidamide is CCc1ccc(/N=C(/N)CCl)c(Br)c1.
What is the InChIKey of N'-(2-bromo-4-ethylphenyl)-2-chloroethanimidamide?
The InChIKey is MJXTUUXBZZRGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2/c1-2-7-3-4-9(8(11)5-7)14-10(13)6-12/h3-5H,2,6H2,1H3,(H2,13,14).
What are the key properties of N'-(2-bromo-4-ethylphenyl)-2-chloroethanimidamide?
N'-(2-bromo-4-ethylphenyl)-2-chloroethanimidamide has a molecular weight of 275.58 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromo-4-ethylphenyl)-2-chloroethanimidamide is sourced from PubChem (CID 169365471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).