methyl N-[2-[[4-[3-(trifluoromethyl)phenyl]benzoyl]amino]ethyl]carbamate

C18H17F3N2O3 — CID 134800899

IUPACmethyl N-[2-[[4-[3-(trifluoromethyl)phenyl]benzoyl]amino]ethyl]carbamate
SMILESCOC(=O)NCCNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H17F3N2O3/c1-26-17(25)23-10-9-22-16(24)13-7-5-12(6-8-13)14-3-2-4-15(11-14)18(19,20)21/h2-8,11H,9-10H2,1H3,(H,22,24)(H,23,25)
InChIKeyZVTFWQMCYIWGHL-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.46
Rot. Bonds5

About methyl N-[2-[[4-[3-(trifluoromethyl)phenyl]benzoyl]amino]ethyl]carbamate

methyl N-[2-[[4-[3-(trifluoromethyl)phenyl]benzoyl]amino]ethyl]carbamate (PubChem CID 134800899) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is methyl N-[2-[[4-[3-(trifluoromethyl)phenyl]benzoyl]amino]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[[4-[3-(trifluoromethyl)phenyl]benzoyl]amino]ethyl]carbamate
PubChem CID134800899
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Namemethyl N-[2-[[4-[3-(trifluoromethyl)phenyl]benzoyl]amino]ethyl]carbamate
SMILESCOC(=O)NCCNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H17F3N2O3/c1-26-17(25)23-10-9-22-16(24)13-7-5-12(6-8-13)14-3-2-4-15(11-14)18(19,20)21/h2-8,11H,9-10H2,1H3,(H,22,24)(H,23,25)
InChIKeyZVTFWQMCYIWGHL-UHFFFAOYSA-N
XLogP3.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide
CID 134803671
CID 134803729
CID 134803729
methyl 4-[3-(trifluoromethyl)phenyl]benzoate
CID 1393419
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
3-[4-(hydroxycarbamoyl)phenyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 91058519
2-methyl-2-[2-methyl-4-[2-[[4-[3-(trifluoromethyl)phenyl]benzoyl]amino]ethyl]phenoxy]propanoic acid
CID 69346249
2-(methylamino)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanone
CID 146409402
4-methyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzamide
CID 30349954
3-methoxy-N-[2-[[4-(3-methoxyphenyl)benzoyl]amino]ethyl]benzamide
CID 134802561
N-[2-[[N-ethyl-N'-[[3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]ethyl]-4-methoxybenzamide
CID 111267325
phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 132564507
N-(2-benzamidoethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide
CID 38231454

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[[4-[3-(trifluoromethyl)phenyl]benzoyl]amino]ethyl]carbamate?
The IUPAC name of methyl N-[2-[[4-[3-(trifluoromethyl)phenyl]benzoyl]amino]ethyl]carbamate (CID 134800899) is methyl N-[2-[[4-[3-(trifluoromethyl)phenyl]benzoyl]amino]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[[4-[3-(trifluoromethyl)phenyl]benzoyl]amino]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[[4-[3-(trifluoromethyl)phenyl]benzoyl]amino]ethyl]carbamate is COC(=O)NCCNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of methyl N-[2-[[4-[3-(trifluoromethyl)phenyl]benzoyl]amino]ethyl]carbamate?
The InChIKey is ZVTFWQMCYIWGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-26-17(25)23-10-9-22-16(24)13-7-5-12(6-8-13)14-3-2-4-15(11-14)18(19,20)21/h2-8,11H,9-10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of methyl N-[2-[[4-[3-(trifluoromethyl)phenyl]benzoyl]amino]ethyl]carbamate?
methyl N-[2-[[4-[3-(trifluoromethyl)phenyl]benzoyl]amino]ethyl]carbamate has a molecular weight of 366.34 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[[4-[3-(trifluoromethyl)phenyl]benzoyl]amino]ethyl]carbamate is sourced from PubChem (CID 134800899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).