N'-[5-bromo-2-(dimethylamino)phenyl]-2-chloroethanimidamide

C10H13BrClN3 — CID 169365907

IUPACN'-[5-bromo-2-(dimethylamino)phenyl]-2-chloroethanimidamide
SMILESCN(C)c1ccc(Br)cc1/N=C(/N)CCl
InChIInChI=1S/C10H13BrClN3/c1-15(2)9-4-3-7(11)5-8(9)14-10(13)6-12/h3-5H,6H2,1-2H3,(H2,13,14)
InChIKeyZCQUQDDREAFKNT-UHFFFAOYSA-N
MW290.59 g/mol
LogP2.74
Rot. Bonds3

About N'-[5-bromo-2-(dimethylamino)phenyl]-2-chloroethanimidamide

N'-[5-bromo-2-(dimethylamino)phenyl]-2-chloroethanimidamide (PubChem CID 169365907) has the molecular formula C10H13BrClN3 and a molecular weight of 290.59 g/mol. Its IUPAC name is N'-[5-bromo-2-(dimethylamino)phenyl]-2-chloroethanimidamide.

Molecular Properties

Compound NameN'-[5-bromo-2-(dimethylamino)phenyl]-2-chloroethanimidamide
PubChem CID169365907
Molecular FormulaC10H13BrClN3
Molecular Weight290.59 g/mol
Exact Mass289.00
IUPAC NameN'-[5-bromo-2-(dimethylamino)phenyl]-2-chloroethanimidamide
SMILESCN(C)c1ccc(Br)cc1/N=C(/N)CCl
InChIInChI=1S/C10H13BrClN3/c1-15(2)9-4-3-7(11)5-8(9)14-10(13)6-12/h3-5H,6H2,1-2H3,(H2,13,14)
InChIKeyZCQUQDDREAFKNT-UHFFFAOYSA-N
XLogP2.74
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methylphenyl)-2-chloroethanimidamide
CID 169369563
N'-(5-bromo-2-hydroxyphenyl)-2-chloroethanimidamide
CID 169365135
N'-(4-bromo-2-cyanophenyl)-2-chloroethanimidamide
CID 169369696
N'-(5-bromo-2-chloro-3-methylphenyl)-2-chloroethanimidamide
CID 169366991
5-[(1-amino-2-chloroethylidene)amino]-2-(dimethylamino)benzamide
CID 169367761
N'-[4-bromo-2-(trifluoromethoxy)phenyl]-2-chloroethanimidamide
CID 169369701
N'-[4-bromo-2-(difluoromethoxy)phenyl]-2-chloroethanimidamide
CID 169366176
2-chloro-N'-(2,5-dibromo-4-methylphenyl)ethanimidamide
CID 169368149
N'-(2-bromo-4-propan-2-ylphenyl)-2-chloroethanimidamide
CID 169365341
N'-(2-bromo-4-ethylphenyl)-2-chloroethanimidamide
CID 169365471
N'-(4-bromo-2,6-dimethylphenyl)-2-chloroethanimidamide
CID 169369458
N'-[4-(4-bromophenyl)phenyl]-2-chloroethanimidamide
CID 169369732

Frequently Asked Questions

What is the IUPAC name of N'-[5-bromo-2-(dimethylamino)phenyl]-2-chloroethanimidamide?
The IUPAC name of N'-[5-bromo-2-(dimethylamino)phenyl]-2-chloroethanimidamide (CID 169365907) is N'-[5-bromo-2-(dimethylamino)phenyl]-2-chloroethanimidamide.
What is the SMILES notation for N'-[5-bromo-2-(dimethylamino)phenyl]-2-chloroethanimidamide?
The canonical SMILES for N'-[5-bromo-2-(dimethylamino)phenyl]-2-chloroethanimidamide is CN(C)c1ccc(Br)cc1/N=C(/N)CCl.
What is the InChIKey of N'-[5-bromo-2-(dimethylamino)phenyl]-2-chloroethanimidamide?
The InChIKey is ZCQUQDDREAFKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClN3/c1-15(2)9-4-3-7(11)5-8(9)14-10(13)6-12/h3-5H,6H2,1-2H3,(H2,13,14).
What are the key properties of N'-[5-bromo-2-(dimethylamino)phenyl]-2-chloroethanimidamide?
N'-[5-bromo-2-(dimethylamino)phenyl]-2-chloroethanimidamide has a molecular weight of 290.59 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-bromo-2-(dimethylamino)phenyl]-2-chloroethanimidamide is sourced from PubChem (CID 169365907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).