N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-ethyl-2-hydroxybenzenecarboximidamide

C18H20F2N2O — CID 137083359

IUPACN'-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-ethyl-2-hydroxybenzenecarboximidamide
SMILESCCc1ccc(O)c(/C(N)=N/Cc2ccc(C(C)(F)F)cc2)c1
InChIInChI=1S/C18H20F2N2O/c1-3-12-6-9-16(23)15(10-12)17(21)22-11-13-4-7-14(8-5-13)18(2,19)20/h4-10,23H,3,11H2,1-2H3,(H2,21,22)
InChIKeyOBJAKWUDTACCSB-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.97
Rot. Bonds5

About N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-ethyl-2-hydroxybenzenecarboximidamide

N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-ethyl-2-hydroxybenzenecarboximidamide (PubChem CID 137083359) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-ethyl-2-hydroxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-ethyl-2-hydroxybenzenecarboximidamide
PubChem CID137083359
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC NameN'-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-ethyl-2-hydroxybenzenecarboximidamide
SMILESCCc1ccc(O)c(/C(N)=N/Cc2ccc(C(C)(F)F)cc2)c1
InChIInChI=1S/C18H20F2N2O/c1-3-12-6-9-16(23)15(10-12)17(21)22-11-13-4-7-14(8-5-13)18(2,19)20/h4-10,23H,3,11H2,1-2H3,(H2,21,22)
InChIKeyOBJAKWUDTACCSB-UHFFFAOYSA-N
XLogP3.97
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.97
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'}

Analyze N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-ethyl-2-hydroxybenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1,1-difluoroethyl)-2-hydroxy-N'-[[4-(trifluoromethyl)phenyl]methyl]benzenecarboximidamide
CID 144678459
N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-3-fluoro-4-methylbenzenecarboximidamide
CID 123999158
N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-4-(trifluoromethyl)pyridine-2-carboximidamide;ethane
CID 144678118
5-(1,1-difluoroethyl)-N'-ethyl-2-methylbenzenecarboximidamide
CID 144678019
N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-4-propan-2-yloxypyridine-2-carboximidamide
CID 123292348
N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-fluoro-6-methoxypyridine-3-carboximidamide
CID 123777466
5-chloro-N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-6-methoxypyridine-3-carboximidamide
CID 123707692
N'-[[4-(trifluoromethyl)phenyl]methyl]butanimidamide
CID 63174113
2-[(4-tert-butylphenyl)methyl]-1,1-diethylguanidine;hydroiodide
CID 111045461
ethane;4-ethyl-2-(trifluoromethyl)phenol
CID 143680036
(2Z,4Z)-2-amino-N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-6,7-dimethylocta-2,4-dienimidamide
CID 162593953
N'-[(4-chlorophenyl)methyl]-4-[2-[4-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]phenyl]propan-2-yl]benzenecarboximidamide
CID 170270607

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-ethyl-2-hydroxybenzenecarboximidamide?
The IUPAC name of N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-ethyl-2-hydroxybenzenecarboximidamide (CID 137083359) is N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-ethyl-2-hydroxybenzenecarboximidamide.
What is the SMILES notation for N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-ethyl-2-hydroxybenzenecarboximidamide?
The canonical SMILES for N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-ethyl-2-hydroxybenzenecarboximidamide is CCc1ccc(O)c(/C(N)=N/Cc2ccc(C(C)(F)F)cc2)c1.
What is the InChIKey of N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-ethyl-2-hydroxybenzenecarboximidamide?
The InChIKey is OBJAKWUDTACCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O/c1-3-12-6-9-16(23)15(10-12)17(21)22-11-13-4-7-14(8-5-13)18(2,19)20/h4-10,23H,3,11H2,1-2H3,(H2,21,22).
What are the key properties of N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-ethyl-2-hydroxybenzenecarboximidamide?
N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-ethyl-2-hydroxybenzenecarboximidamide has a molecular weight of 318.37 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-ethyl-2-hydroxybenzenecarboximidamide is sourced from PubChem (CID 137083359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).