N'-[(3-chlorophenyl)methyl]-3,4-difluorobenzenecarboximidamide

C14H11ClF2N2 — CID 20706455

IUPACN'-[(3-chlorophenyl)methyl]-3,4-difluorobenzenecarboximidamide
SMILESN/C(=N\Cc1cccc(Cl)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H11ClF2N2/c15-11-3-1-2-9(6-11)8-19-14(18)10-4-5-12(16)13(17)7-10/h1-7H,8H2,(H2,18,19)
InChIKeyPFPXBMRRYDGFKA-UHFFFAOYSA-N
MW280.71 g/mol
LogP3.52
Rot. Bonds3

About N'-[(3-chlorophenyl)methyl]-3,4-difluorobenzenecarboximidamide

N'-[(3-chlorophenyl)methyl]-3,4-difluorobenzenecarboximidamide (PubChem CID 20706455) has the molecular formula C14H11ClF2N2 and a molecular weight of 280.71 g/mol. Its IUPAC name is N'-[(3-chlorophenyl)methyl]-3,4-difluorobenzenecarboximidamide.

Molecular Properties

Compound NameN'-[(3-chlorophenyl)methyl]-3,4-difluorobenzenecarboximidamide
PubChem CID20706455
Molecular FormulaC14H11ClF2N2
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC NameN'-[(3-chlorophenyl)methyl]-3,4-difluorobenzenecarboximidamide
SMILESN/C(=N\Cc1cccc(Cl)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H11ClF2N2/c15-11-3-1-2-9(6-11)8-19-14(18)10-4-5-12(16)13(17)7-10/h1-7H,8H2,(H2,18,19)
InChIKeyPFPXBMRRYDGFKA-UHFFFAOYSA-N
XLogP3.52
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 53.52
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-fluorobenzenecarboximidamide
CID 20706457
2-[(3-chlorophenyl)methyl]guanidine;hydroiodide
CID 167747614
3,4-dichloro-N'-[(3-methoxyphenyl)methyl]benzenecarboximidamide
CID 20706423
N'-benzyl-3-[2-[4-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]phenyl]iminohydrazinyl]benzenecarboximidamide
CID 169205703
1-tert-butyl-2-[(3-chlorophenyl)methyl]guanidine
CID 62531902
2-[(3-fluorophenyl)methyl]guanidine
CID 14963573
2-(3-chlorophenyl)-1-(3,4-difluorophenyl)ethanol
CID 60797621
N'-benzyl-3-[5-[3-(N'-benzylcarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide
CID 169205876
3-chloro-4-fluoro-N'-propylbenzenecarboximidamide
CID 63181342
2-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111024216
N'-[(4-chlorophenyl)methyl]-4-[2-[4-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]phenyl]propan-2-yl]benzenecarboximidamide
CID 170270607
N'-[(3-cyanophenyl)methyl]benzenecarboximidamide
CID 63175867

Frequently Asked Questions

What is the IUPAC name of N'-[(3-chlorophenyl)methyl]-3,4-difluorobenzenecarboximidamide?
The IUPAC name of N'-[(3-chlorophenyl)methyl]-3,4-difluorobenzenecarboximidamide (CID 20706455) is N'-[(3-chlorophenyl)methyl]-3,4-difluorobenzenecarboximidamide.
What is the SMILES notation for N'-[(3-chlorophenyl)methyl]-3,4-difluorobenzenecarboximidamide?
The canonical SMILES for N'-[(3-chlorophenyl)methyl]-3,4-difluorobenzenecarboximidamide is N/C(=N\Cc1cccc(Cl)c1)c1ccc(F)c(F)c1.
What is the InChIKey of N'-[(3-chlorophenyl)methyl]-3,4-difluorobenzenecarboximidamide?
The InChIKey is PFPXBMRRYDGFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2/c15-11-3-1-2-9(6-11)8-19-14(18)10-4-5-12(16)13(17)7-10/h1-7H,8H2,(H2,18,19).
What are the key properties of N'-[(3-chlorophenyl)methyl]-3,4-difluorobenzenecarboximidamide?
N'-[(3-chlorophenyl)methyl]-3,4-difluorobenzenecarboximidamide has a molecular weight of 280.71 g/mol, XLogP of 3.52, 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]-3,4-difluorobenzenecarboximidamide is sourced from PubChem (CID 20706455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).