N'-[4-bromo-3-(trifluoromethyl)phenyl]-2-chloroethanimidamide

C9H7BrClF3N2 — CID 169364970

IUPACN'-[4-bromo-3-(trifluoromethyl)phenyl]-2-chloroethanimidamide
SMILESN/C(CCl)=N/c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C9H7BrClF3N2/c10-7-2-1-5(16-8(15)4-11)3-6(7)9(12,13)14/h1-3H,4H2,(H2,15,16)
InChIKeyCPKBNUHRYOYDPM-UHFFFAOYSA-N
MW315.52 g/mol
LogP3.70
Rot. Bonds2

About N'-[4-bromo-3-(trifluoromethyl)phenyl]-2-chloroethanimidamide

N'-[4-bromo-3-(trifluoromethyl)phenyl]-2-chloroethanimidamide (PubChem CID 169364970) has the molecular formula C9H7BrClF3N2 and a molecular weight of 315.52 g/mol. Its IUPAC name is N'-[4-bromo-3-(trifluoromethyl)phenyl]-2-chloroethanimidamide.

Molecular Properties

Compound NameN'-[4-bromo-3-(trifluoromethyl)phenyl]-2-chloroethanimidamide
PubChem CID169364970
Molecular FormulaC9H7BrClF3N2
Molecular Weight315.52 g/mol
Exact Mass313.94
IUPAC NameN'-[4-bromo-3-(trifluoromethyl)phenyl]-2-chloroethanimidamide
SMILESN/C(CCl)=N/c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C9H7BrClF3N2/c10-7-2-1-5(16-8(15)4-11)3-6(7)9(12,13)14/h1-3H,4H2,(H2,15,16)
InChIKeyCPKBNUHRYOYDPM-UHFFFAOYSA-N
XLogP3.70
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.52
LogP ≤ 53.70
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'-[3,5-bis(trifluoromethyl)phenyl]-2-chloroethanimidamide
CID 169369581
2-chloro-N'-(3-chloro-4-fluorophenyl)ethanimidamide
CID 169369617
N'-[4-(4-bromophenyl)phenyl]-2-chloroethanimidamide
CID 169369732
2-chloro-N'-(4-fluoro-3-methylphenyl)ethanimidamide
CID 169364929
4-bromo-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 154405509
2-chloro-N'-(3-fluorophenyl)ethanimidamide
CID 169368865
2-chloro-N'-[2,3,4-trifluoro-5-(trifluoromethyl)phenyl]ethanimidamide
CID 169366173
2-chloro-N'-[4-oxo-2-(trifluoromethyl)chromen-6-yl]ethanimidamide
CID 169366896
2-chloro-N'-(3,5-difluoro-4-hydroxyphenyl)ethanimidamide
CID 169367099
2-chloro-N'-[4-propan-2-yl-2-(trifluoromethyl)phenyl]ethanimidamide
CID 169365282
2-chloro-N'-(2,3-dihydro-1H-isoindol-5-yl)ethanimidamide
CID 169367360
N'-[2-bromo-5-[2,6-difluoro-4-(trifluoromethyl)phenoxy]phenyl]-2-chloroethanimidamide
CID 169369356

Frequently Asked Questions

What is the IUPAC name of N'-[4-bromo-3-(trifluoromethyl)phenyl]-2-chloroethanimidamide?
The IUPAC name of N'-[4-bromo-3-(trifluoromethyl)phenyl]-2-chloroethanimidamide (CID 169364970) is N'-[4-bromo-3-(trifluoromethyl)phenyl]-2-chloroethanimidamide.
What is the SMILES notation for N'-[4-bromo-3-(trifluoromethyl)phenyl]-2-chloroethanimidamide?
The canonical SMILES for N'-[4-bromo-3-(trifluoromethyl)phenyl]-2-chloroethanimidamide is N/C(CCl)=N/c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of N'-[4-bromo-3-(trifluoromethyl)phenyl]-2-chloroethanimidamide?
The InChIKey is CPKBNUHRYOYDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClF3N2/c10-7-2-1-5(16-8(15)4-11)3-6(7)9(12,13)14/h1-3H,4H2,(H2,15,16).
What are the key properties of N'-[4-bromo-3-(trifluoromethyl)phenyl]-2-chloroethanimidamide?
N'-[4-bromo-3-(trifluoromethyl)phenyl]-2-chloroethanimidamide has a molecular weight of 315.52 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-bromo-3-(trifluoromethyl)phenyl]-2-chloroethanimidamide is sourced from PubChem (CID 169364970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).