N'-[(3-chlorophenyl)methyl]-3-fluorobenzenecarboximidamide

C14H12ClFN2 — CID 20706457

IUPACN'-[(3-chlorophenyl)methyl]-3-fluorobenzenecarboximidamide
SMILESN/C(=N\Cc1cccc(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C14H12ClFN2/c15-12-5-1-3-10(7-12)9-18-14(17)11-4-2-6-13(16)8-11/h1-8H,9H2,(H2,17,18)
InChIKeyKUUAHIACBPTHSB-UHFFFAOYSA-N
MW262.72 g/mol
LogP3.38
Rot. Bonds3

About N'-[(3-chlorophenyl)methyl]-3-fluorobenzenecarboximidamide

N'-[(3-chlorophenyl)methyl]-3-fluorobenzenecarboximidamide (PubChem CID 20706457) has the molecular formula C14H12ClFN2 and a molecular weight of 262.72 g/mol. Its IUPAC name is N'-[(3-chlorophenyl)methyl]-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound NameN'-[(3-chlorophenyl)methyl]-3-fluorobenzenecarboximidamide
PubChem CID20706457
Molecular FormulaC14H12ClFN2
Molecular Weight262.72 g/mol
Exact Mass262.07
IUPAC NameN'-[(3-chlorophenyl)methyl]-3-fluorobenzenecarboximidamide
SMILESN/C(=N\Cc1cccc(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C14H12ClFN2/c15-12-5-1-3-10(7-12)9-18-14(17)11-4-2-6-13(16)8-11/h1-8H,9H2,(H2,17,18)
InChIKeyKUUAHIACBPTHSB-UHFFFAOYSA-N
XLogP3.38
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 53.38
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

N'-[(3-chlorophenyl)methyl]-3,4-difluorobenzenecarboximidamide
CID 20706455
2-[(3-fluorophenyl)methyl]guanidine
CID 14963573
2-[(3-chlorophenyl)methyl]guanidine;hydroiodide
CID 167747614
3-(3-chlorophenyl)-1-(3-fluorophenyl)propan-1-one
CID 24726035
N'-benzyl-3-phenylbenzenecarboximidamide
CID 142527130
1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834017
3-[[(3-chlorophenyl)methyl-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 76903702
N'-benzyl-3-[5-[3-(N'-benzylcarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide
CID 169205876
3-chloro-1-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 71309867
3,4-dichloro-N'-[(3-methoxyphenyl)methyl]benzenecarboximidamide
CID 20706423
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648
1-tert-butyl-2-[(3-chlorophenyl)methyl]guanidine
CID 62531902

Frequently Asked Questions

What is the IUPAC name of N'-[(3-chlorophenyl)methyl]-3-fluorobenzenecarboximidamide?
The IUPAC name of N'-[(3-chlorophenyl)methyl]-3-fluorobenzenecarboximidamide (CID 20706457) is N'-[(3-chlorophenyl)methyl]-3-fluorobenzenecarboximidamide.
What is the SMILES notation for N'-[(3-chlorophenyl)methyl]-3-fluorobenzenecarboximidamide?
The canonical SMILES for N'-[(3-chlorophenyl)methyl]-3-fluorobenzenecarboximidamide is N/C(=N\Cc1cccc(Cl)c1)c1cccc(F)c1.
What is the InChIKey of N'-[(3-chlorophenyl)methyl]-3-fluorobenzenecarboximidamide?
The InChIKey is KUUAHIACBPTHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2/c15-12-5-1-3-10(7-12)9-18-14(17)11-4-2-6-13(16)8-11/h1-8H,9H2,(H2,17,18).
What are the key properties of N'-[(3-chlorophenyl)methyl]-3-fluorobenzenecarboximidamide?
N'-[(3-chlorophenyl)methyl]-3-fluorobenzenecarboximidamide has a molecular weight of 262.72 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-chlorophenyl)methyl]-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 20706457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).