N'-(4-bromophenyl)-2-fluoro-N-hydroxy-4-(trifluoromethyl)benzenecarboximidamide

C14H9BrF4N2O — CID 22347130

IUPACN'-(4-bromophenyl)-2-fluoro-N-hydroxy-4-(trifluoromethyl)benzenecarboximidamide
SMILESON/C(=N\c1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C14H9BrF4N2O/c15-9-2-4-10(5-3-9)20-13(21-22)11-6-1-8(7-12(11)16)14(17,18)19/h1-7,22H,(H,20,21)
InChIKeyFYLJDPIOLSLKNY-UHFFFAOYSA-N
MW377.14 g/mol
LogP4.66
Rot. Bonds2

About N'-(4-bromophenyl)-2-fluoro-N-hydroxy-4-(trifluoromethyl)benzenecarboximidamide

N'-(4-bromophenyl)-2-fluoro-N-hydroxy-4-(trifluoromethyl)benzenecarboximidamide (PubChem CID 22347130) has the molecular formula C14H9BrF4N2O and a molecular weight of 377.14 g/mol. Its IUPAC name is N'-(4-bromophenyl)-2-fluoro-N-hydroxy-4-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(4-bromophenyl)-2-fluoro-N-hydroxy-4-(trifluoromethyl)benzenecarboximidamide
PubChem CID22347130
Molecular FormulaC14H9BrF4N2O
Molecular Weight377.14 g/mol
Exact Mass375.98
IUPAC NameN'-(4-bromophenyl)-2-fluoro-N-hydroxy-4-(trifluoromethyl)benzenecarboximidamide
SMILESON/C(=N\c1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C14H9BrF4N2O/c15-9-2-4-10(5-3-9)20-13(21-22)11-6-1-8(7-12(11)16)14(17,18)19/h1-7,22H,(H,20,21)
InChIKeyFYLJDPIOLSLKNY-UHFFFAOYSA-N
XLogP4.66
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.14
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-fluoro-4-(trifluoromethyl)benzamide
CID 137362061
N-hydroxy-N'-phenyl-2-(trifluoromethyl)benzenecarboximidamide
CID 162537410
ethane;N-[(Z)-1-[2-fluoro-4-(trifluoromethyl)phenyl]prop-1-enyl]methanimine
CID 168887293
N-(4-bromophenyl)-2,2,2-trifluoroethanimidoyl bromide
CID 175196993
4-bromo-N-[2-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
CID 63524757
(3Z)-4-[2-fluoro-4-(trifluoromethyl)phenyl]buta-1,3-diene-1,1,4-triamine
CID 178030367
2-[2-fluoro-5-(trifluoromethyl)phenyl]guanidine
CID 22120088
2-bromo-1-(4-bromo-2-fluorophenyl)-2,2-difluoroethanone
CID 130137043
[2-amino-5-(trifluoromethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone
CID 115911534
5-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-2-amine
CID 63464156
2,3-difluoro-N-hydroxy-N'-pyridin-4-ylbenzenecarboximidamide
CID 15255285
2-fluoro-3-[2-fluoro-4-(trifluoromethyl)phenyl]-3-oxopropanenitrile
CID 142428684

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromophenyl)-2-fluoro-N-hydroxy-4-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N'-(4-bromophenyl)-2-fluoro-N-hydroxy-4-(trifluoromethyl)benzenecarboximidamide (CID 22347130) is N'-(4-bromophenyl)-2-fluoro-N-hydroxy-4-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N'-(4-bromophenyl)-2-fluoro-N-hydroxy-4-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N'-(4-bromophenyl)-2-fluoro-N-hydroxy-4-(trifluoromethyl)benzenecarboximidamide is ON/C(=N\c1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1F.
What is the InChIKey of N'-(4-bromophenyl)-2-fluoro-N-hydroxy-4-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is FYLJDPIOLSLKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF4N2O/c15-9-2-4-10(5-3-9)20-13(21-22)11-6-1-8(7-12(11)16)14(17,18)19/h1-7,22H,(H,20,21).
What are the key properties of N'-(4-bromophenyl)-2-fluoro-N-hydroxy-4-(trifluoromethyl)benzenecarboximidamide?
N'-(4-bromophenyl)-2-fluoro-N-hydroxy-4-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 377.14 g/mol, XLogP of 4.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)-2-fluoro-N-hydroxy-4-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 22347130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).