N'-[4-(4-bromophenyl)phenyl]-2-chloroethanimidamide

C14H12BrClN2 — CID 169369732

IUPACN'-[4-(4-bromophenyl)phenyl]-2-chloroethanimidamide
SMILESN/C(CCl)=N/c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H12BrClN2/c15-12-5-1-10(2-6-12)11-3-7-13(8-4-11)18-14(17)9-16/h1-8H,9H2,(H2,17,18)
InChIKeyCCXOLOLDHUQUSD-UHFFFAOYSA-N
MW323.62 g/mol
LogP4.34
Rot. Bonds3

About N'-[4-(4-bromophenyl)phenyl]-2-chloroethanimidamide

N'-[4-(4-bromophenyl)phenyl]-2-chloroethanimidamide (PubChem CID 169369732) has the molecular formula C14H12BrClN2 and a molecular weight of 323.62 g/mol. Its IUPAC name is N'-[4-(4-bromophenyl)phenyl]-2-chloroethanimidamide.

Molecular Properties

Compound NameN'-[4-(4-bromophenyl)phenyl]-2-chloroethanimidamide
PubChem CID169369732
Molecular FormulaC14H12BrClN2
Molecular Weight323.62 g/mol
Exact Mass321.99
IUPAC NameN'-[4-(4-bromophenyl)phenyl]-2-chloroethanimidamide
SMILESN/C(CCl)=N/c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H12BrClN2/c15-12-5-1-10(2-6-12)11-3-7-13(8-4-11)18-14(17)9-16/h1-8H,9H2,(H2,17,18)
InChIKeyCCXOLOLDHUQUSD-UHFFFAOYSA-N
XLogP4.34
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.62
LogP ≤ 54.34
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'-[4-(4-tert-butylphenyl)phenyl]-2-chloroethanimidamide
CID 169368793
4-[4-[(1-amino-2-chloroethylidene)amino]phenyl]-N,N-dimethylbenzamide
CID 169366248
4-[(1-amino-2-chloroethylidene)amino]benzamide
CID 169369705
N'-[4-(5-bromopyrimidin-2-yl)sulfanylphenyl]-2-chloroethanimidamide
CID 169366488
N'-[4-(2-bromoacetyl)phenyl]-2-chloroethanimidamide
CID 169369049
2-chloro-N'-(4-cyclopropylphenyl)ethanimidamide
CID 169366596
N'-(5-bromo-2-methylphenyl)-2-chloroethanimidamide
CID 169369563
N'-(5-bromo-2-hydroxyphenyl)-2-chloroethanimidamide
CID 169365135
N'-[4-bromo-3-(trifluoromethyl)phenyl]-2-chloroethanimidamide
CID 169364970
2-chloro-N'-[4-[2-(methylamino)ethyl]phenyl]ethanimidamide
CID 169369257
N'-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-chloroethanimidamide
CID 169365065
2-chloro-N'-[4-(2,2-dimethylpropoxy)phenyl]ethanimidamide
CID 169368507

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-bromophenyl)phenyl]-2-chloroethanimidamide?
The IUPAC name of N'-[4-(4-bromophenyl)phenyl]-2-chloroethanimidamide (CID 169369732) is N'-[4-(4-bromophenyl)phenyl]-2-chloroethanimidamide.
What is the SMILES notation for N'-[4-(4-bromophenyl)phenyl]-2-chloroethanimidamide?
The canonical SMILES for N'-[4-(4-bromophenyl)phenyl]-2-chloroethanimidamide is N/C(CCl)=N/c1ccc(-c2ccc(Br)cc2)cc1.
What is the InChIKey of N'-[4-(4-bromophenyl)phenyl]-2-chloroethanimidamide?
The InChIKey is CCXOLOLDHUQUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2/c15-12-5-1-10(2-6-12)11-3-7-13(8-4-11)18-14(17)9-16/h1-8H,9H2,(H2,17,18).
What are the key properties of N'-[4-(4-bromophenyl)phenyl]-2-chloroethanimidamide?
N'-[4-(4-bromophenyl)phenyl]-2-chloroethanimidamide has a molecular weight of 323.62 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-bromophenyl)phenyl]-2-chloroethanimidamide is sourced from PubChem (CID 169369732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).