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

C8H8BrClN2O — CID 169365135

IUPACN'-(5-bromo-2-hydroxyphenyl)-2-chloroethanimidamide
SMILESN/C(CCl)=N/c1cc(Br)ccc1O
InChIInChI=1S/C8H8BrClN2O/c9-5-1-2-7(13)6(3-5)12-8(11)4-10/h1-3,13H,4H2,(H2,11,12)
InChIKeyQDGRMTFYLVCCKV-UHFFFAOYSA-N
MW263.52 g/mol
LogP2.38
Rot. Bonds2

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

N'-(5-bromo-2-hydroxyphenyl)-2-chloroethanimidamide (PubChem CID 169365135) has the molecular formula C8H8BrClN2O and a molecular weight of 263.52 g/mol. Its IUPAC name is N'-(5-bromo-2-hydroxyphenyl)-2-chloroethanimidamide.

Molecular Properties

Compound NameN'-(5-bromo-2-hydroxyphenyl)-2-chloroethanimidamide
PubChem CID169365135
Molecular FormulaC8H8BrClN2O
Molecular Weight263.52 g/mol
Exact Mass261.95
IUPAC NameN'-(5-bromo-2-hydroxyphenyl)-2-chloroethanimidamide
SMILESN/C(CCl)=N/c1cc(Br)ccc1O
InChIInChI=1S/C8H8BrClN2O/c9-5-1-2-7(13)6(3-5)12-8(11)4-10/h1-3,13H,4H2,(H2,11,12)
InChIKeyQDGRMTFYLVCCKV-UHFFFAOYSA-N
XLogP2.38
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.52
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-(5-bromo-2-hydroxyphenyl)-2-chloroethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(5-bromo-2-methylphenyl)-2-chloroethanimidamide
CID 169369563
N'-[5-bromo-2-(dimethylamino)phenyl]-2-chloroethanimidamide
CID 169365907
N'-(4-bromo-2-cyanophenyl)-2-chloroethanimidamide
CID 169369696
N'-[4-bromo-2-(difluoromethoxy)phenyl]-2-chloroethanimidamide
CID 169366176
2-[3-[(1-amino-2-chloroethylidene)amino]-4-hydroxyphenyl]acetic acid
CID 169366497
N'-[4-bromo-2-(trifluoromethoxy)phenyl]-2-chloroethanimidamide
CID 169369701
N'-(5-bromo-2-chloro-3-methylphenyl)-2-chloroethanimidamide
CID 169366991
N'-[4-(4-bromophenyl)phenyl]-2-chloroethanimidamide
CID 169369732
N'-(2-bromo-4-propan-2-ylphenyl)-2-chloroethanimidamide
CID 169365341
N'-(2-bromo-4-ethylphenyl)-2-chloroethanimidamide
CID 169365471
2-chloro-N'-(2,5-dibromo-4-methylphenyl)ethanimidamide
CID 169368149
N'-(4-bromo-2,6-dimethylphenyl)-2-chloroethanimidamide
CID 169369458

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-2-hydroxyphenyl)-2-chloroethanimidamide?
The IUPAC name of N'-(5-bromo-2-hydroxyphenyl)-2-chloroethanimidamide (CID 169365135) is N'-(5-bromo-2-hydroxyphenyl)-2-chloroethanimidamide.
What is the SMILES notation for N'-(5-bromo-2-hydroxyphenyl)-2-chloroethanimidamide?
The canonical SMILES for N'-(5-bromo-2-hydroxyphenyl)-2-chloroethanimidamide is N/C(CCl)=N/c1cc(Br)ccc1O.
What is the InChIKey of N'-(5-bromo-2-hydroxyphenyl)-2-chloroethanimidamide?
The InChIKey is QDGRMTFYLVCCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN2O/c9-5-1-2-7(13)6(3-5)12-8(11)4-10/h1-3,13H,4H2,(H2,11,12).
What are the key properties of N'-(5-bromo-2-hydroxyphenyl)-2-chloroethanimidamide?
N'-(5-bromo-2-hydroxyphenyl)-2-chloroethanimidamide has a molecular weight of 263.52 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-hydroxyphenyl)-2-chloroethanimidamide is sourced from PubChem (CID 169365135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).