(4-fluorophenyl) N-[(4-phenylphenyl)methyl]carbamate

C20H16FNO2 — CID 68577471

IUPAC(4-fluorophenyl) N-[(4-phenylphenyl)methyl]carbamate
SMILESO=C(NCc1ccc(-c2ccccc2)cc1)Oc1ccc(F)cc1
InChIInChI=1S/C20H16FNO2/c21-18-10-12-19(13-11-18)24-20(23)22-14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-13H,14H2,(H,22,23)
InChIKeyLJGOONATZYZLPI-UHFFFAOYSA-N
MW321.35 g/mol
LogP4.78
Rot. Bonds4

About (4-fluorophenyl) N-[(4-phenylphenyl)methyl]carbamate

(4-fluorophenyl) N-[(4-phenylphenyl)methyl]carbamate (PubChem CID 68577471) has the molecular formula C20H16FNO2 and a molecular weight of 321.35 g/mol. Its IUPAC name is (4-fluorophenyl) N-[(4-phenylphenyl)methyl]carbamate.

Molecular Properties

Compound Name(4-fluorophenyl) N-[(4-phenylphenyl)methyl]carbamate
PubChem CID68577471
Molecular FormulaC20H16FNO2
Molecular Weight321.35 g/mol
Exact Mass321.12
IUPAC Name(4-fluorophenyl) N-[(4-phenylphenyl)methyl]carbamate
SMILESO=C(NCc1ccc(-c2ccccc2)cc1)Oc1ccc(F)cc1
InChIInChI=1S/C20H16FNO2/c21-18-10-12-19(13-11-18)24-20(23)22-14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-13H,14H2,(H,22,23)
InChIKeyLJGOONATZYZLPI-UHFFFAOYSA-N
XLogP4.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-phenylphenyl) N-benzylcarbamate
CID 25174478
(4-methylphenyl) N-benzylcarbamate
CID 14292552
ethyl N-[(4-phenylphenyl)methyl]carbamate
CID 90935573
(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433
phenyl N-[(3-fluoro-5-hydroxyphenyl)methyl]carbamate
CID 155120388
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2427732
[4-(1H-pyrazol-4-yl)phenyl] N-[(4-methylphenyl)methyl]carbamate
CID 68564151
[4-(hydroxymethyl)phenyl] N-[(4-methylphenyl)methyl]carbamate
CID 21130773
1,1,2-trifluoroethyl N-[(4-phenylphenyl)methyl]carbamate
CID 157060389
(4-phenylphenyl) N-[4-[[4-[(4-phenylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate
CID 67179519
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
phenyl N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]carbamate
CID 108738413

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) N-[(4-phenylphenyl)methyl]carbamate?
The IUPAC name of (4-fluorophenyl) N-[(4-phenylphenyl)methyl]carbamate (CID 68577471) is (4-fluorophenyl) N-[(4-phenylphenyl)methyl]carbamate.
What is the SMILES notation for (4-fluorophenyl) N-[(4-phenylphenyl)methyl]carbamate?
The canonical SMILES for (4-fluorophenyl) N-[(4-phenylphenyl)methyl]carbamate is O=C(NCc1ccc(-c2ccccc2)cc1)Oc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl) N-[(4-phenylphenyl)methyl]carbamate?
The InChIKey is LJGOONATZYZLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO2/c21-18-10-12-19(13-11-18)24-20(23)22-14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-13H,14H2,(H,22,23).
What are the key properties of (4-fluorophenyl) N-[(4-phenylphenyl)methyl]carbamate?
(4-fluorophenyl) N-[(4-phenylphenyl)methyl]carbamate has a molecular weight of 321.35 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) N-[(4-phenylphenyl)methyl]carbamate is sourced from PubChem (CID 68577471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).