(4-pyrrol-1-ylphenyl) N-[[4-(trifluoromethyl)phenyl]methyl]carbamate

C19H15F3N2O2 — CID 57329537

IUPAC(4-pyrrol-1-ylphenyl) N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)Oc1ccc(-n2cccc2)cc1
InChIInChI=1S/C19H15F3N2O2/c20-19(21,22)15-5-3-14(4-6-15)13-23-18(25)26-17-9-7-16(8-10-17)24-11-1-2-12-24/h1-12H,13H2,(H,23,25)
InChIKeyGXHQQYJERYKZCB-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.78
Rot. Bonds4

About (4-pyrrol-1-ylphenyl) N-[[4-(trifluoromethyl)phenyl]methyl]carbamate

(4-pyrrol-1-ylphenyl) N-[[4-(trifluoromethyl)phenyl]methyl]carbamate (PubChem CID 57329537) has the molecular formula C19H15F3N2O2 and a molecular weight of 360.34 g/mol. Its IUPAC name is (4-pyrrol-1-ylphenyl) N-[[4-(trifluoromethyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Name(4-pyrrol-1-ylphenyl) N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
PubChem CID57329537
Molecular FormulaC19H15F3N2O2
Molecular Weight360.34 g/mol
Exact Mass360.11
IUPAC Name(4-pyrrol-1-ylphenyl) N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)Oc1ccc(-n2cccc2)cc1
InChIInChI=1S/C19H15F3N2O2/c20-19(21,22)15-5-3-14(4-6-15)13-23-18(25)26-17-9-7-16(8-10-17)24-11-1-2-12-24/h1-12H,13H2,(H,23,25)
InChIKeyGXHQQYJERYKZCB-UHFFFAOYSA-N
XLogP4.78
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-pyrrol-1-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 55493467
2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55772582
(4-pyrrol-1-ylphenyl) N-(2,2-diphenylethyl)carbamate
CID 57330021
2,2,2-trifluoroethyl N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 61382588
N-[(4-pyrrol-1-ylphenyl)methyl]thiophene-2-carboxamide
CID 4919616
4-pyrrol-1-yl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108933756
2-(4-fluorophenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052645
methyl 4-[(4-pyrrol-1-ylphenyl)methylcarbamoyl]benzoate
CID 4919619
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 16757561
(4-fluorophenyl) N-[(4-phenylphenyl)methyl]carbamate
CID 68577471
N-[[4-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 46448239
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397

Frequently Asked Questions

What is the IUPAC name of (4-pyrrol-1-ylphenyl) N-[[4-(trifluoromethyl)phenyl]methyl]carbamate?
The IUPAC name of (4-pyrrol-1-ylphenyl) N-[[4-(trifluoromethyl)phenyl]methyl]carbamate (CID 57329537) is (4-pyrrol-1-ylphenyl) N-[[4-(trifluoromethyl)phenyl]methyl]carbamate.
What is the SMILES notation for (4-pyrrol-1-ylphenyl) N-[[4-(trifluoromethyl)phenyl]methyl]carbamate?
The canonical SMILES for (4-pyrrol-1-ylphenyl) N-[[4-(trifluoromethyl)phenyl]methyl]carbamate is O=C(NCc1ccc(C(F)(F)F)cc1)Oc1ccc(-n2cccc2)cc1.
What is the InChIKey of (4-pyrrol-1-ylphenyl) N-[[4-(trifluoromethyl)phenyl]methyl]carbamate?
The InChIKey is GXHQQYJERYKZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2/c20-19(21,22)15-5-3-14(4-6-15)13-23-18(25)26-17-9-7-16(8-10-17)24-11-1-2-12-24/h1-12H,13H2,(H,23,25).
What are the key properties of (4-pyrrol-1-ylphenyl) N-[[4-(trifluoromethyl)phenyl]methyl]carbamate?
(4-pyrrol-1-ylphenyl) N-[[4-(trifluoromethyl)phenyl]methyl]carbamate has a molecular weight of 360.34 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrrol-1-ylphenyl) N-[[4-(trifluoromethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 57329537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).