N'-(5-bromo-2-methylphenyl)-2-chloroethanimidamide

C9H10BrClN2 — CID 169369563

IUPACN'-(5-bromo-2-methylphenyl)-2-chloroethanimidamide
SMILESCc1ccc(Br)cc1/N=C(/N)CCl
InChIInChI=1S/C9H10BrClN2/c1-6-2-3-7(10)4-8(6)13-9(12)5-11/h2-4H,5H2,1H3,(H2,12,13)
InChIKeyVJHCLWSDLCPWHD-UHFFFAOYSA-N
MW261.55 g/mol
LogP2.99
Rot. Bonds2

About N'-(5-bromo-2-methylphenyl)-2-chloroethanimidamide

N'-(5-bromo-2-methylphenyl)-2-chloroethanimidamide (PubChem CID 169369563) has the molecular formula C9H10BrClN2 and a molecular weight of 261.55 g/mol. Its IUPAC name is N'-(5-bromo-2-methylphenyl)-2-chloroethanimidamide.

Molecular Properties

Compound NameN'-(5-bromo-2-methylphenyl)-2-chloroethanimidamide
PubChem CID169369563
Molecular FormulaC9H10BrClN2
Molecular Weight261.55 g/mol
Exact Mass259.97
IUPAC NameN'-(5-bromo-2-methylphenyl)-2-chloroethanimidamide
SMILESCc1ccc(Br)cc1/N=C(/N)CCl
InChIInChI=1S/C9H10BrClN2/c1-6-2-3-7(10)4-8(6)13-9(12)5-11/h2-4H,5H2,1H3,(H2,12,13)
InChIKeyVJHCLWSDLCPWHD-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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Related Compounds

N'-(5-bromo-2-hydroxyphenyl)-2-chloroethanimidamide
CID 169365135
N'-[5-bromo-2-(dimethylamino)phenyl]-2-chloroethanimidamide
CID 169365907
N'-(5-bromo-2-chloro-3-methylphenyl)-2-chloroethanimidamide
CID 169366991
2-(5-bromo-2-methylphenyl)-1-hydroxyguanidine
CID 62482082
2-chloro-N'-(2,5-dibromo-4-methylphenyl)ethanimidamide
CID 169368149
N'-(4-bromo-2,6-dimethylphenyl)-2-chloroethanimidamide
CID 169369458
N'-(4-bromo-2-cyanophenyl)-2-chloroethanimidamide
CID 169369696
2-chloro-N'-(2,4-dimethylphenyl)ethanimidamide
CID 169365317
N'-(2-bromo-4-propan-2-ylphenyl)-2-chloroethanimidamide
CID 169365341
N'-[4-bromo-2-(difluoromethoxy)phenyl]-2-chloroethanimidamide
CID 169366176
N'-[4-bromo-2-(trifluoromethoxy)phenyl]-2-chloroethanimidamide
CID 169369701
N'-(5-bromo-2-methylphenyl)cyclopentanecarboximidamide
CID 63175617

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-2-methylphenyl)-2-chloroethanimidamide?
The IUPAC name of N'-(5-bromo-2-methylphenyl)-2-chloroethanimidamide (CID 169369563) is N'-(5-bromo-2-methylphenyl)-2-chloroethanimidamide.
What is the SMILES notation for N'-(5-bromo-2-methylphenyl)-2-chloroethanimidamide?
The canonical SMILES for N'-(5-bromo-2-methylphenyl)-2-chloroethanimidamide is Cc1ccc(Br)cc1/N=C(/N)CCl.
What is the InChIKey of N'-(5-bromo-2-methylphenyl)-2-chloroethanimidamide?
The InChIKey is VJHCLWSDLCPWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2/c1-6-2-3-7(10)4-8(6)13-9(12)5-11/h2-4H,5H2,1H3,(H2,12,13).
What are the key properties of N'-(5-bromo-2-methylphenyl)-2-chloroethanimidamide?
N'-(5-bromo-2-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'-(5-bromo-2-methylphenyl)-2-chloroethanimidamide is sourced from PubChem (CID 169369563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).