tert-butyl N-[(4-fluorophenyl)-phenylmethyl]carbamate

C18H20FNO2 — CID 101498635

IUPACtert-butyl N-[(4-fluorophenyl)-phenylmethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO2/c1-18(2,3)22-17(21)20-16(13-7-5-4-6-8-13)14-9-11-15(19)12-10-14/h4-12,16H,1-3H3,(H,20,21)
InChIKeyVTKBZLASMGPCJD-UHFFFAOYSA-N
MW301.36 g/mol
LogP4.44
Rot. Bonds3

About tert-butyl N-[(4-fluorophenyl)-phenylmethyl]carbamate

tert-butyl N-[(4-fluorophenyl)-phenylmethyl]carbamate (PubChem CID 101498635) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is tert-butyl N-[(4-fluorophenyl)-phenylmethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-fluorophenyl)-phenylmethyl]carbamate
PubChem CID101498635
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Nametert-butyl N-[(4-fluorophenyl)-phenylmethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO2/c1-18(2,3)22-17(21)20-16(13-7-5-4-6-8-13)14-9-11-15(19)12-10-14/h4-12,16H,1-3H3,(H,20,21)
InChIKeyVTKBZLASMGPCJD-UHFFFAOYSA-N
XLogP4.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]carbamate
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tert-butyl N-((2-methylphenyl)methyl)carbamate
CID 826765
tert-butyl (3R)-3-phenylpiperazine-1-carboxylate
CID 7015616
tert-butyl N-{[4-(aminomethyl)phenyl]methyl}carbamate
CID 3354775
tert-butyl N-(2-phenylethyl)carbamate
CID 3541750
tert-butyl N-[[3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]phenyl]methyl]carbamate
CID 53324839
tert-butyl N-[4-[3-(dibenzylamino)propylamino]butyl]carbamate
CID 145983561
tert-butyl N-[4-[3-(dibenzylamino)propylamino]cyclohexyl]carbamate
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tert-butyl N-[4-[3-[bis[(4-fluorophenyl)methyl]amino]propylamino]cyclohexyl]carbamate
CID 145984289

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-fluorophenyl)-phenylmethyl]carbamate?
The IUPAC name of tert-butyl N-[(4-fluorophenyl)-phenylmethyl]carbamate (CID 101498635) is tert-butyl N-[(4-fluorophenyl)-phenylmethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-fluorophenyl)-phenylmethyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-fluorophenyl)-phenylmethyl]carbamate is CC(C)(C)OC(=O)NC(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of tert-butyl N-[(4-fluorophenyl)-phenylmethyl]carbamate?
The InChIKey is VTKBZLASMGPCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-18(2,3)22-17(21)20-16(13-7-5-4-6-8-13)14-9-11-15(19)12-10-14/h4-12,16H,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[(4-fluorophenyl)-phenylmethyl]carbamate?
tert-butyl N-[(4-fluorophenyl)-phenylmethyl]carbamate has a molecular weight of 301.36 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-fluorophenyl)-phenylmethyl]carbamate is sourced from PubChem (CID 101498635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).