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

C9H7BrClN3 — CID 169369696

IUPACN'-(4-bromo-2-cyanophenyl)-2-chloroethanimidamide
SMILESN#Cc1cc(Br)ccc1/N=C(/N)CCl
InChIInChI=1S/C9H7BrClN3/c10-7-1-2-8(6(3-7)5-12)14-9(13)4-11/h1-3H,4H2,(H2,13,14)
InChIKeyUEDPDQFCUIZTHF-UHFFFAOYSA-N
MW272.53 g/mol
LogP2.55
Rot. Bonds2

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

N'-(4-bromo-2-cyanophenyl)-2-chloroethanimidamide (PubChem CID 169369696) has the molecular formula C9H7BrClN3 and a molecular weight of 272.53 g/mol. Its IUPAC name is N'-(4-bromo-2-cyanophenyl)-2-chloroethanimidamide.

Molecular Properties

Compound NameN'-(4-bromo-2-cyanophenyl)-2-chloroethanimidamide
PubChem CID169369696
Molecular FormulaC9H7BrClN3
Molecular Weight272.53 g/mol
Exact Mass270.95
IUPAC NameN'-(4-bromo-2-cyanophenyl)-2-chloroethanimidamide
SMILESN#Cc1cc(Br)ccc1/N=C(/N)CCl
InChIInChI=1S/C9H7BrClN3/c10-7-1-2-8(6(3-7)5-12)14-9(13)4-11/h1-3H,4H2,(H2,13,14)
InChIKeyUEDPDQFCUIZTHF-UHFFFAOYSA-N
XLogP2.55
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.53
LogP ≤ 52.55
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

2-chloro-N'-(4,5-dichloro-2-cyanophenyl)ethanimidamide
CID 169369229
N'-(5-bromo-2-methylphenyl)-2-chloroethanimidamide
CID 169369563
N'-(5-bromo-2-hydroxyphenyl)-2-chloroethanimidamide
CID 169365135
2-chloro-N'-(2-cyano-4,5-diethoxyphenyl)ethanimidamide
CID 169369665
N'-[4-bromo-2-(difluoromethoxy)phenyl]-2-chloroethanimidamide
CID 169366176
N'-[4-bromo-2-(trifluoromethoxy)phenyl]-2-chloroethanimidamide
CID 169369701
2-amino-5-bromobenzonitrile;5-bromo-2-isothiocyanatobenzonitrile
CID 160972730
N'-(2-bromo-4-propan-2-ylphenyl)-2-chloroethanimidamide
CID 169365341
N'-[4-(4-bromophenyl)phenyl]-2-chloroethanimidamide
CID 169369732
2-chloro-N'-(2,4-dicyano-6-methylphenyl)ethanimidamide
CID 169369151
2-chloro-N'-(6-cyano-3-hydroxy-2-methylphenyl)ethanimidamide
CID 169369060
5-bromo-2-(hydroxymethyl)benzonitrile
CID 91883254

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-2-cyanophenyl)-2-chloroethanimidamide?
The IUPAC name of N'-(4-bromo-2-cyanophenyl)-2-chloroethanimidamide (CID 169369696) is N'-(4-bromo-2-cyanophenyl)-2-chloroethanimidamide.
What is the SMILES notation for N'-(4-bromo-2-cyanophenyl)-2-chloroethanimidamide?
The canonical SMILES for N'-(4-bromo-2-cyanophenyl)-2-chloroethanimidamide is N#Cc1cc(Br)ccc1/N=C(/N)CCl.
What is the InChIKey of N'-(4-bromo-2-cyanophenyl)-2-chloroethanimidamide?
The InChIKey is UEDPDQFCUIZTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN3/c10-7-1-2-8(6(3-7)5-12)14-9(13)4-11/h1-3H,4H2,(H2,13,14).
What are the key properties of N'-(4-bromo-2-cyanophenyl)-2-chloroethanimidamide?
N'-(4-bromo-2-cyanophenyl)-2-chloroethanimidamide has a molecular weight of 272.53 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-2-cyanophenyl)-2-chloroethanimidamide is sourced from PubChem (CID 169369696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).