[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl] N-[2-(chloromethyl)phenyl]carbamate

C18H15ClF3NO2 — CID 66553534

IUPAC[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl] N-[2-(chloromethyl)phenyl]carbamate
SMILESO=C(Nc1ccccc1CCl)OC/C=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H15ClF3NO2/c19-12-14-7-1-2-9-16(14)23-17(24)25-10-4-6-13-5-3-8-15(11-13)18(20,21)22/h1-9,11H,10,12H2,(H,23,24)/b6-4+
InChIKeyDICHPWMRQZCBAP-GQCTYLIASA-N
MW369.77 g/mol
LogP5.71
Rot. Bonds5

About [(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl] N-[2-(chloromethyl)phenyl]carbamate

[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl] N-[2-(chloromethyl)phenyl]carbamate (PubChem CID 66553534) has the molecular formula C18H15ClF3NO2 and a molecular weight of 369.77 g/mol. Its IUPAC name is [(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl] N-[2-(chloromethyl)phenyl]carbamate.

Molecular Properties

Compound Name[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl] N-[2-(chloromethyl)phenyl]carbamate
PubChem CID66553534
Molecular FormulaC18H15ClF3NO2
Molecular Weight369.77 g/mol
Exact Mass369.07
IUPAC Name[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl] N-[2-(chloromethyl)phenyl]carbamate
SMILESO=C(Nc1ccccc1CCl)OC/C=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H15ClF3NO2/c19-12-14-7-1-2-9-16(14)23-17(24)25-10-4-6-13-5-3-8-15(11-13)18(20,21)22/h1-9,11H,10,12H2,(H,23,24)/b6-4+
InChIKeyDICHPWMRQZCBAP-GQCTYLIASA-N
XLogP5.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.77
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[3-(trifluoromethyl)phenyl]prop-2-enoxyamino]prop-2-enoic acid
CID 56636125
1-(3-chloroprop-1-enyl)-3-(trifluoromethyl)benzene
CID 53441843
N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 55642515
3-[2-[3-[3-(trifluoromethyl)phenyl]prop-2-enylamino]phenyl]propanoic acid
CID 154255503
N-(2-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 874967
[2-(2,3-dichloroanilino)-2-oxoethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 29141588
[(E)-3-phenylprop-2-enyl] N-(2-chloro-4-methylphenyl)carbamate
CID 6115688
methyl (Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 5314584
[2-oxo-2-(2-phenylanilino)ethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 29142790
3-[3-(trifluoromethyl)phenyl]prop-2-enyl methanesulfonate
CID 91411558
[2-(2-cyanoanilino)-2-oxoethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 6212353
[2-(2-cyanoanilino)-2-oxoethyl] 3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 4787169

Frequently Asked Questions

What is the IUPAC name of [(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl] N-[2-(chloromethyl)phenyl]carbamate?
The IUPAC name of [(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl] N-[2-(chloromethyl)phenyl]carbamate (CID 66553534) is [(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl] N-[2-(chloromethyl)phenyl]carbamate.
What is the SMILES notation for [(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl] N-[2-(chloromethyl)phenyl]carbamate?
The canonical SMILES for [(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl] N-[2-(chloromethyl)phenyl]carbamate is O=C(Nc1ccccc1CCl)OC/C=C/c1cccc(C(F)(F)F)c1.
What is the InChIKey of [(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl] N-[2-(chloromethyl)phenyl]carbamate?
The InChIKey is DICHPWMRQZCBAP-GQCTYLIASA-N. The full InChI is InChI=1S/C18H15ClF3NO2/c19-12-14-7-1-2-9-16(14)23-17(24)25-10-4-6-13-5-3-8-15(11-13)18(20,21)22/h1-9,11H,10,12H2,(H,23,24)/b6-4+.
What are the key properties of [(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl] N-[2-(chloromethyl)phenyl]carbamate?
[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl] N-[2-(chloromethyl)phenyl]carbamate has a molecular weight of 369.77 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl] N-[2-(chloromethyl)phenyl]carbamate is sourced from PubChem (CID 66553534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).