[4-(trifluoromethyl)phenyl] N-(methoxycarbonylamino)-N-(2-methoxyphenyl)carbamate

C17H15F3N2O5 — CID 67327744

IUPAC[4-(trifluoromethyl)phenyl] N-(methoxycarbonylamino)-N-(2-methoxyphenyl)carbamate
SMILESCOC(=O)NN(C(=O)Oc1ccc(C(F)(F)F)cc1)c1ccccc1OC
InChIInChI=1S/C17H15F3N2O5/c1-25-14-6-4-3-5-13(14)22(21-15(23)26-2)16(24)27-12-9-7-11(8-10-12)17(18,19)20/h3-10H,1-2H3,(H,21,23)
InChIKeyGPESIORGOYWVDM-UHFFFAOYSA-N
MW384.31 g/mol
LogP3.99
Rot. Bonds3

About [4-(trifluoromethyl)phenyl] N-(methoxycarbonylamino)-N-(2-methoxyphenyl)carbamate

[4-(trifluoromethyl)phenyl] N-(methoxycarbonylamino)-N-(2-methoxyphenyl)carbamate (PubChem CID 67327744) has the molecular formula C17H15F3N2O5 and a molecular weight of 384.31 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl] N-(methoxycarbonylamino)-N-(2-methoxyphenyl)carbamate.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl] N-(methoxycarbonylamino)-N-(2-methoxyphenyl)carbamate
PubChem CID67327744
Molecular FormulaC17H15F3N2O5
Molecular Weight384.31 g/mol
Exact Mass384.09
IUPAC Name[4-(trifluoromethyl)phenyl] N-(methoxycarbonylamino)-N-(2-methoxyphenyl)carbamate
SMILESCOC(=O)NN(C(=O)Oc1ccc(C(F)(F)F)cc1)c1ccccc1OC
InChIInChI=1S/C17H15F3N2O5/c1-25-14-6-4-3-5-13(14)22(21-15(23)26-2)16(24)27-12-9-7-11(8-10-12)17(18,19)20/h3-10H,1-2H3,(H,21,23)
InChIKeyGPESIORGOYWVDM-UHFFFAOYSA-N
XLogP3.99
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-2-[4-(trifluoromethyl)phenoxy]benzene
CID 76546119
[2-[3-[4-(trifluoromethyl)phenoxy]propoxy]phenyl] N-methylcarbamate
CID 50923786
methyl (Z)-2-[4-(trifluoromethyl)phenoxy]but-2-enoate
CID 132597599
(4-methoxyphenyl) 4-(trifluoromethyl)benzoate
CID 532480
[4-(trifluoromethyl)phenyl] N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 177453696
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 8510041
[4-(trifluoromethyl)phenyl] carbonofluoridate
CID 10774714
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 55787131
(4-tert-butylphenyl) [4-(trifluoromethyl)phenyl] carbonate
CID 70424353
N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
CID 2548088
N-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272108
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-methoxybenzoate
CID 7485742

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl] N-(methoxycarbonylamino)-N-(2-methoxyphenyl)carbamate?
The IUPAC name of [4-(trifluoromethyl)phenyl] N-(methoxycarbonylamino)-N-(2-methoxyphenyl)carbamate (CID 67327744) is [4-(trifluoromethyl)phenyl] N-(methoxycarbonylamino)-N-(2-methoxyphenyl)carbamate.
What is the SMILES notation for [4-(trifluoromethyl)phenyl] N-(methoxycarbonylamino)-N-(2-methoxyphenyl)carbamate?
The canonical SMILES for [4-(trifluoromethyl)phenyl] N-(methoxycarbonylamino)-N-(2-methoxyphenyl)carbamate is COC(=O)NN(C(=O)Oc1ccc(C(F)(F)F)cc1)c1ccccc1OC.
What is the InChIKey of [4-(trifluoromethyl)phenyl] N-(methoxycarbonylamino)-N-(2-methoxyphenyl)carbamate?
The InChIKey is GPESIORGOYWVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O5/c1-25-14-6-4-3-5-13(14)22(21-15(23)26-2)16(24)27-12-9-7-11(8-10-12)17(18,19)20/h3-10H,1-2H3,(H,21,23).
What are the key properties of [4-(trifluoromethyl)phenyl] N-(methoxycarbonylamino)-N-(2-methoxyphenyl)carbamate?
[4-(trifluoromethyl)phenyl] N-(methoxycarbonylamino)-N-(2-methoxyphenyl)carbamate has a molecular weight of 384.31 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl] N-(methoxycarbonylamino)-N-(2-methoxyphenyl)carbamate is sourced from PubChem (CID 67327744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).