tert-butyl N-(3-fluoro-4-phenylmethoxynaphthalen-2-yl)carbamate

C22H22FNO3 — CID 171099839

IUPACtert-butyl N-(3-fluoro-4-phenylmethoxynaphthalen-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc2ccccc2c(OCc2ccccc2)c1F
InChIInChI=1S/C22H22FNO3/c1-22(2,3)27-21(25)24-18-13-16-11-7-8-12-17(16)20(19(18)23)26-14-15-9-5-4-6-10-15/h4-13H,14H2,1-3H3,(H,24,25)
InChIKeyMISOUXXSLQQLFF-UHFFFAOYSA-N
MW367.42 g/mol
LogP5.90
Rot. Bonds4

About tert-butyl N-(3-fluoro-4-phenylmethoxynaphthalen-2-yl)carbamate

tert-butyl N-(3-fluoro-4-phenylmethoxynaphthalen-2-yl)carbamate (PubChem CID 171099839) has the molecular formula C22H22FNO3 and a molecular weight of 367.42 g/mol. Its IUPAC name is tert-butyl N-(3-fluoro-4-phenylmethoxynaphthalen-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-fluoro-4-phenylmethoxynaphthalen-2-yl)carbamate
PubChem CID171099839
Molecular FormulaC22H22FNO3
Molecular Weight367.42 g/mol
Exact Mass367.16
IUPAC Nametert-butyl N-(3-fluoro-4-phenylmethoxynaphthalen-2-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc2ccccc2c(OCc2ccccc2)c1F
InChIInChI=1S/C22H22FNO3/c1-22(2,3)27-21(25)24-18-13-16-11-7-8-12-17(16)20(19(18)23)26-14-15-9-5-4-6-10-15/h4-13H,14H2,1-3H3,(H,24,25)
InChIKeyMISOUXXSLQQLFF-UHFFFAOYSA-N
XLogP5.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.42
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxybenzoic acid
CID 23130265
tert-butyl N-(2-hydroxy-4-phenylmethoxyphenyl)carbamate
CID 58020516
3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybenzoic acid
CID 54328163
tert-butyl N-(5-iodo-8-phenylmethoxyquinolin-6-yl)carbamate
CID 22053399
tert-butyl N-[3-(bromomethyl)naphthalen-2-yl]carbamate
CID 122220716
benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybenzoate
CID 54325649
ethane;ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxyphenyl]acetate
CID 156725209
tert-butyl N-[4-(hydroxymethyl)quinolin-2-yl]carbamate
CID 118669396
tert-butyl N-(2-ethanimidoyl-4-phenylmethoxyphenyl)carbamate;ethane
CID 143063494
benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 173301676
benzyl N-(3-methoxynaphthalen-1-yl)carbamate
CID 23023062
tert-butyl N-(6-methyl-5-phenylmethoxy-3-pyridinyl)carbamate
CID 166524697

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-fluoro-4-phenylmethoxynaphthalen-2-yl)carbamate?
The IUPAC name of tert-butyl N-(3-fluoro-4-phenylmethoxynaphthalen-2-yl)carbamate (CID 171099839) is tert-butyl N-(3-fluoro-4-phenylmethoxynaphthalen-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-fluoro-4-phenylmethoxynaphthalen-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-fluoro-4-phenylmethoxynaphthalen-2-yl)carbamate is CC(C)(C)OC(=O)Nc1cc2ccccc2c(OCc2ccccc2)c1F.
What is the InChIKey of tert-butyl N-(3-fluoro-4-phenylmethoxynaphthalen-2-yl)carbamate?
The InChIKey is MISOUXXSLQQLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO3/c1-22(2,3)27-21(25)24-18-13-16-11-7-8-12-17(16)20(19(18)23)26-14-15-9-5-4-6-10-15/h4-13H,14H2,1-3H3,(H,24,25).
What are the key properties of tert-butyl N-(3-fluoro-4-phenylmethoxynaphthalen-2-yl)carbamate?
tert-butyl N-(3-fluoro-4-phenylmethoxynaphthalen-2-yl)carbamate has a molecular weight of 367.42 g/mol, XLogP of 5.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-fluoro-4-phenylmethoxynaphthalen-2-yl)carbamate is sourced from PubChem (CID 171099839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).