N-[4-[C-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]acetamide

C19H19F3N2O2 — CID 86699622

IUPACN-[4-[C-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]acetamide
SMILESCCC(=NOCc1ccc(C(F)(F)F)cc1)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H19F3N2O2/c1-3-18(15-6-10-17(11-7-15)23-13(2)25)24-26-12-14-4-8-16(9-5-14)19(20,21)22/h4-11H,3,12H2,1-2H3,(H,23,25)
InChIKeyIHDRUUURZHHQCJ-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.99
Rot. Bonds6

About N-[4-[C-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]acetamide

N-[4-[C-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]acetamide (PubChem CID 86699622) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is N-[4-[C-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[C-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]acetamide
PubChem CID86699622
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC NameN-[4-[C-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]acetamide
SMILESCCC(=NOCc1ccc(C(F)(F)F)cc1)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H19F3N2O2/c1-3-18(15-6-10-17(11-7-15)23-13(2)25)24-26-12-14-4-8-16(9-5-14)19(20,21)22/h4-11H,3,12H2,1-2H3,(H,23,25)
InChIKeyIHDRUUURZHHQCJ-UHFFFAOYSA-N
XLogP4.99
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-phenylmethoxy-2-[4-(trifluoromethyl)anilino]propanamide
CID 154721786
(3Z)-3-amino-3-[(4-cyanophenyl)methoxyimino]-N-(4-methylphenyl)propanamide
CID 9568948
2-[(benzyloxy)imino]-N-(2,4-difluorophenyl)acetamide
CID 9628925
methyl N-[2-[[(E)-1-(4-fluorophenyl)ethylideneamino]oxymethyl]phenyl]carbamate
CID 20667526
methyl N-[2-[[1-(4-fluorophenyl)ethylideneamino]oxymethyl]phenyl]carbamate
CID 54037224
methyl N-[2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]carbamate
CID 54229541
2-[4-[(E)-C-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]anilino]-N-(oxan-4-ylmethyl)acetamide
CID 57414195
2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]anilino]-N-(oxan-4-ylmethyl)acetamide
CID 57414470
N-[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-2-phenylmethoxyacetamide
CID 59652477
methyl N-[2-[[(E)-[(1E)-1-(4-fluorophenyl)-1-methoxyiminopropan-2-ylidene]amino]oxymethyl]phenyl]carbamate
CID 60069419
{4-[5-(4-Trifluoromethylphenyl)-4,5-dihydro-isoxazol-3-yl]-phenyl}-carbamic acid tert-butyl ester
CID 66968782
methyl N-[2-[[[1-(4-fluorophenyl)-1-methoxyiminopropan-2-ylidene]amino]oxymethyl]phenyl]carbamate
CID 72640020

Frequently Asked Questions

What is the IUPAC name of N-[4-[C-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]acetamide?
The IUPAC name of N-[4-[C-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]acetamide (CID 86699622) is N-[4-[C-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[C-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[C-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]acetamide is CCC(=NOCc1ccc(C(F)(F)F)cc1)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[C-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]acetamide?
The InChIKey is IHDRUUURZHHQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-3-18(15-6-10-17(11-7-15)23-13(2)25)24-26-12-14-4-8-16(9-5-14)19(20,21)22/h4-11H,3,12H2,1-2H3,(H,23,25).
What are the key properties of N-[4-[C-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]acetamide?
N-[4-[C-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]acetamide has a molecular weight of 364.37 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[C-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]acetamide is sourced from PubChem (CID 86699622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).