tert-butyl N-[5-(cyclohexylamino)-2-fluorophenyl]carbamate

C17H25FN2O2 — CID 107240679

IUPACtert-butyl N-[5-(cyclohexylamino)-2-fluorophenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(NC2CCCCC2)ccc1F
InChIInChI=1S/C17H25FN2O2/c1-17(2,3)22-16(21)20-15-11-13(9-10-14(15)18)19-12-7-5-4-6-8-12/h9-12,19H,4-8H2,1-3H3,(H,20,21)
InChIKeyOBGRCKAWMNSJGO-UHFFFAOYSA-N
MW308.40 g/mol
LogP4.92
Rot. Bonds3

About tert-butyl N-[5-(cyclohexylamino)-2-fluorophenyl]carbamate

tert-butyl N-[5-(cyclohexylamino)-2-fluorophenyl]carbamate (PubChem CID 107240679) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is tert-butyl N-[5-(cyclohexylamino)-2-fluorophenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(cyclohexylamino)-2-fluorophenyl]carbamate
PubChem CID107240679
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Nametert-butyl N-[5-(cyclohexylamino)-2-fluorophenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(NC2CCCCC2)ccc1F
InChIInChI=1S/C17H25FN2O2/c1-17(2,3)22-16(21)20-15-11-13(9-10-14(15)18)19-12-7-5-4-6-8-12/h9-12,19H,4-8H2,1-3H3,(H,20,21)
InChIKeyOBGRCKAWMNSJGO-UHFFFAOYSA-N
XLogP4.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(cycloheptylamino)phenyl]carbamate
CID 107240278
tert-butyl N-[2-fluoro-5-(propylamino)phenyl]carbamate
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tert-butyl N-[2-fluoro-5-(prop-2-ynylamino)phenyl]carbamate
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tert-butyl N-[3-[(1,1-dioxothiolan-3-yl)amino]-4-fluorophenyl]carbamate
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tert-butyl N-(2,5-difluorophenyl)carbamate
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tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate
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N-[5-[(4,4-dimethylcycloheptyl)amino]-2-fluorophenyl]acetamide
CID 65083100
tert-butyl N-[2-fluoro-5-[1-(1-methylcyclopropyl)ethylamino]phenyl]carbamate
CID 107240614
tert-butyl N-[4-fluoro-3-(heptylamino)phenyl]carbamate
CID 107241007
tert-butyl N-[5-[(2-cyanoacetyl)amino]-2-fluorophenyl]carbamate
CID 168521828
tert-butyl N-(3-cyclopropyl-4-fluorophenyl)carbamate
CID 130848962
tert-butyl N-[2-methoxy-4-[(3-methoxycyclobutyl)amino]phenyl]carbamate
CID 104870570

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(cyclohexylamino)-2-fluorophenyl]carbamate?
The IUPAC name of tert-butyl N-[5-(cyclohexylamino)-2-fluorophenyl]carbamate (CID 107240679) is tert-butyl N-[5-(cyclohexylamino)-2-fluorophenyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(cyclohexylamino)-2-fluorophenyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(cyclohexylamino)-2-fluorophenyl]carbamate is CC(C)(C)OC(=O)Nc1cc(NC2CCCCC2)ccc1F.
What is the InChIKey of tert-butyl N-[5-(cyclohexylamino)-2-fluorophenyl]carbamate?
The InChIKey is OBGRCKAWMNSJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-17(2,3)22-16(21)20-15-11-13(9-10-14(15)18)19-12-7-5-4-6-8-12/h9-12,19H,4-8H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[5-(cyclohexylamino)-2-fluorophenyl]carbamate?
tert-butyl N-[5-(cyclohexylamino)-2-fluorophenyl]carbamate has a molecular weight of 308.40 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(cyclohexylamino)-2-fluorophenyl]carbamate is sourced from PubChem (CID 107240679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).