N'-(4-bromo-2-fluorophenyl)-N-phenylethanimidamide

C14H12BrFN2 — CID 154719417

IUPACN'-(4-bromo-2-fluorophenyl)-N-phenylethanimidamide
SMILESC/C(=N\c1ccc(Br)cc1F)Nc1ccccc1
InChIInChI=1S/C14H12BrFN2/c1-10(17-12-5-3-2-4-6-12)18-14-8-7-11(15)9-13(14)16/h2-9H,1H3,(H,17,18)
InChIKeyKTLGMBYPRNNGSA-UHFFFAOYSA-N
MW307.17 g/mol
LogP4.75
Rot. Bonds2

About N'-(4-bromo-2-fluorophenyl)-N-phenylethanimidamide

N'-(4-bromo-2-fluorophenyl)-N-phenylethanimidamide (PubChem CID 154719417) has the molecular formula C14H12BrFN2 and a molecular weight of 307.17 g/mol. Its IUPAC name is N'-(4-bromo-2-fluorophenyl)-N-phenylethanimidamide.

Molecular Properties

Compound NameN'-(4-bromo-2-fluorophenyl)-N-phenylethanimidamide
PubChem CID154719417
Molecular FormulaC14H12BrFN2
Molecular Weight307.17 g/mol
Exact Mass306.02
IUPAC NameN'-(4-bromo-2-fluorophenyl)-N-phenylethanimidamide
SMILESC/C(=N\c1ccc(Br)cc1F)Nc1ccccc1
InChIInChI=1S/C14H12BrFN2/c1-10(17-12-5-3-2-4-6-12)18-14-8-7-11(15)9-13(14)16/h2-9H,1H3,(H,17,18)
InChIKeyKTLGMBYPRNNGSA-UHFFFAOYSA-N
XLogP4.75
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ethanimidamide, N,N'-diphenyl-
CID 12117
1-(4-Bromophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine hcl
CID 2850414
N,N'-Bis(4-bromophenyl)formamidine
CID 525810
1-(4-Bromo-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine
CID 732267
N,N''-Bis-(4-bromo-phenyl)-guanidine
CID 14771672
N-(4-bromophenyl)-3,4-dihydroquinolin-2-amine
CID 2318144
1,3,5-Triazine-2,4-diamine, N2-(4-bromophenyl)-3,6-dihydro-6,6-dimethyl-, hydrobromide (1:1)
CID 11948732
5-HT2B antagonist-1
CID 2444014
N,N''-Bis-(4-bromo-2-methyl-phenyl)-acetamidine
CID 15379806
N-(4-bromophenyl)-2,3,4,5,6,7-hexahydroazocin-8-amine
CID 2382407
N'-(2-fluoro-4-iodophenyl)-N-phenylethanimidamide
CID 154719418
2-bromo-N-(2-fluorophenyl)-N'-methylbenzenecarboximidamide
CID 154719421

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-2-fluorophenyl)-N-phenylethanimidamide?
The IUPAC name of N'-(4-bromo-2-fluorophenyl)-N-phenylethanimidamide (CID 154719417) is N'-(4-bromo-2-fluorophenyl)-N-phenylethanimidamide.
What is the SMILES notation for N'-(4-bromo-2-fluorophenyl)-N-phenylethanimidamide?
The canonical SMILES for N'-(4-bromo-2-fluorophenyl)-N-phenylethanimidamide is C/C(=N\c1ccc(Br)cc1F)Nc1ccccc1.
What is the InChIKey of N'-(4-bromo-2-fluorophenyl)-N-phenylethanimidamide?
The InChIKey is KTLGMBYPRNNGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2/c1-10(17-12-5-3-2-4-6-12)18-14-8-7-11(15)9-13(14)16/h2-9H,1H3,(H,17,18).
What are the key properties of N'-(4-bromo-2-fluorophenyl)-N-phenylethanimidamide?
N'-(4-bromo-2-fluorophenyl)-N-phenylethanimidamide has a molecular weight of 307.17 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-2-fluorophenyl)-N-phenylethanimidamide is sourced from PubChem (CID 154719417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).