[3-(trifluoromethyl)phenyl] N-(3-methylphenyl)carbamate

C15H12F3NO2 — CID 4246326

IUPAC[3-(trifluoromethyl)phenyl] N-(3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)Oc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H12F3NO2/c1-10-4-2-6-12(8-10)19-14(20)21-13-7-3-5-11(9-13)15(16,17)18/h2-9H,1H3,(H,19,20)
InChIKeyPYIUQEZRGOCACI-UHFFFAOYSA-N
MW295.26 g/mol
LogP4.62
Rot. Bonds2

About [3-(trifluoromethyl)phenyl] N-(3-methylphenyl)carbamate

[3-(trifluoromethyl)phenyl] N-(3-methylphenyl)carbamate (PubChem CID 4246326) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is [3-(trifluoromethyl)phenyl] N-(3-methylphenyl)carbamate.

Molecular Properties

Compound Name[3-(trifluoromethyl)phenyl] N-(3-methylphenyl)carbamate
PubChem CID4246326
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name[3-(trifluoromethyl)phenyl] N-(3-methylphenyl)carbamate
SMILESCc1cccc(NC(=O)Oc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H12F3NO2/c1-10-4-2-6-12(8-10)19-14(20)21-13-7-3-5-11(9-13)15(16,17)18/h2-9H,1H3,(H,19,20)
InChIKeyPYIUQEZRGOCACI-UHFFFAOYSA-N
XLogP4.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(methoxycarbothioylamino)phenyl] N-[3-(trifluoromethyl)phenyl]carbamate
CID 54156007
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
(3-methylphenyl) N-(3-ethoxyphenyl)carbamate
CID 56690131
(2R)-2-[3,5-bis(trifluoromethyl)phenoxy]-N-(3-methylphenyl)propanamide
CID 2400517
4-(3-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16650952
1,1-dimethyl-3-[3-[3-(trifluoromethyl)phenoxy]phenyl]urea
CID 70613271
bis[3-[[3-[(3-methylphenyl)carbamoyloxy]phenyl]carbamoylamino]phenyl] benzene-1,3-disulfonate
CID 155659667
2,2,2-trifluoroethyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 39871511
[3-(trifluoromethyl)phenyl] carbamate
CID 56614861
(2R)-2-phenoxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 879678
[3-(methylcarbamoylamino)phenyl] N-(4-methylphenyl)carbamate
CID 134123027
2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)phenyl] N-(3-methylphenyl)carbamate?
The IUPAC name of [3-(trifluoromethyl)phenyl] N-(3-methylphenyl)carbamate (CID 4246326) is [3-(trifluoromethyl)phenyl] N-(3-methylphenyl)carbamate.
What is the SMILES notation for [3-(trifluoromethyl)phenyl] N-(3-methylphenyl)carbamate?
The canonical SMILES for [3-(trifluoromethyl)phenyl] N-(3-methylphenyl)carbamate is Cc1cccc(NC(=O)Oc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of [3-(trifluoromethyl)phenyl] N-(3-methylphenyl)carbamate?
The InChIKey is PYIUQEZRGOCACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c1-10-4-2-6-12(8-10)19-14(20)21-13-7-3-5-11(9-13)15(16,17)18/h2-9H,1H3,(H,19,20).
What are the key properties of [3-(trifluoromethyl)phenyl] N-(3-methylphenyl)carbamate?
[3-(trifluoromethyl)phenyl] N-(3-methylphenyl)carbamate has a molecular weight of 295.26 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)phenyl] N-(3-methylphenyl)carbamate is sourced from PubChem (CID 4246326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).