N-oxo-3-phenyl-3-[4-(trifluoromethoxy)phenyl]propanimidamide

C16H13F3N2O2 — CID 141078211

IUPACN-oxo-3-phenyl-3-[4-(trifluoromethoxy)phenyl]propanimidamide
SMILES[H]/N=C(/CC(c1ccccc1)c1ccc(OC(F)(F)F)cc1)N=O
InChIInChI=1S/C16H13F3N2O2/c17-16(18,19)23-13-8-6-12(7-9-13)14(10-15(20)21-22)11-4-2-1-3-5-11/h1-9,14,20H,10H2/b20-15-
InChIKeyQKDUKSJQJIPFJO-HKWRFOASSA-N
MW322.29 g/mol
LogP4.85
Rot. Bonds5

About N-oxo-3-phenyl-3-[4-(trifluoromethoxy)phenyl]propanimidamide

N-oxo-3-phenyl-3-[4-(trifluoromethoxy)phenyl]propanimidamide (PubChem CID 141078211) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is N-oxo-3-phenyl-3-[4-(trifluoromethoxy)phenyl]propanimidamide.

Molecular Properties

Compound NameN-oxo-3-phenyl-3-[4-(trifluoromethoxy)phenyl]propanimidamide
PubChem CID141078211
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC NameN-oxo-3-phenyl-3-[4-(trifluoromethoxy)phenyl]propanimidamide
SMILES[H]/N=C(/CC(c1ccccc1)c1ccc(OC(F)(F)F)cc1)N=O
InChIInChI=1S/C16H13F3N2O2/c17-16(18,19)23-13-8-6-12(7-9-13)14(10-15(20)21-22)11-4-2-1-3-5-11/h1-9,14,20H,10H2/b20-15-
InChIKeyQKDUKSJQJIPFJO-HKWRFOASSA-N
XLogP4.85
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-oxo-3-phenyl-3-[4-(trifluoromethoxy)phenyl]propanimidamide 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

(R)-phenyl-[4-(trifluoromethoxy)phenyl]methanol
CID 95251088
2-amino-2-phenyl-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 62718138
trifluoromethoxybenzene
CID 157402708
(2R)-2-phenyl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 7957205
benzyl 2-[4-(trifluoromethoxy)phenyl]propanoate
CID 138500834
ethyl 3-hydroxy-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 62393974
trifluoromethoxybenzene fluoride
CID 158305019
propan-2-ol;trifluoromethoxybenzene
CID 161029707
2-phenyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 4845915
2-methyl-4-[4-(trifluoromethoxy)phenyl]pentan-3-one
CID 79298920
ethyl (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]acetate
CID 93320084
1-(2-phenylethyl)-4-(trifluoromethoxy)benzene
CID 91341581

Frequently Asked Questions

What is the IUPAC name of N-oxo-3-phenyl-3-[4-(trifluoromethoxy)phenyl]propanimidamide?
The IUPAC name of N-oxo-3-phenyl-3-[4-(trifluoromethoxy)phenyl]propanimidamide (CID 141078211) is N-oxo-3-phenyl-3-[4-(trifluoromethoxy)phenyl]propanimidamide.
What is the SMILES notation for N-oxo-3-phenyl-3-[4-(trifluoromethoxy)phenyl]propanimidamide?
The canonical SMILES for N-oxo-3-phenyl-3-[4-(trifluoromethoxy)phenyl]propanimidamide is [H]/N=C(/CC(c1ccccc1)c1ccc(OC(F)(F)F)cc1)N=O.
What is the InChIKey of N-oxo-3-phenyl-3-[4-(trifluoromethoxy)phenyl]propanimidamide?
The InChIKey is QKDUKSJQJIPFJO-HKWRFOASSA-N. The full InChI is InChI=1S/C16H13F3N2O2/c17-16(18,19)23-13-8-6-12(7-9-13)14(10-15(20)21-22)11-4-2-1-3-5-11/h1-9,14,20H,10H2/b20-15-.
What are the key properties of N-oxo-3-phenyl-3-[4-(trifluoromethoxy)phenyl]propanimidamide?
N-oxo-3-phenyl-3-[4-(trifluoromethoxy)phenyl]propanimidamide has a molecular weight of 322.29 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxo-3-phenyl-3-[4-(trifluoromethoxy)phenyl]propanimidamide is sourced from PubChem (CID 141078211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).