tert-butyl N-[4-fluoro-2-[(4-hydroxycyclohexyl)amino]phenyl]carbamate

C17H25FN2O3 — CID 107240717

IUPACtert-butyl N-[4-fluoro-2-[(4-hydroxycyclohexyl)amino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(F)cc1NC1CCC(O)CC1
InChIInChI=1S/C17H25FN2O3/c1-17(2,3)23-16(22)20-14-9-4-11(18)10-15(14)19-12-5-7-13(21)8-6-12/h4,9-10,12-13,19,21H,5-8H2,1-3H3,(H,20,22)
InChIKeyBBCBKYMEVSNJEY-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.89
Rot. Bonds3

About tert-butyl N-[4-fluoro-2-[(4-hydroxycyclohexyl)amino]phenyl]carbamate

tert-butyl N-[4-fluoro-2-[(4-hydroxycyclohexyl)amino]phenyl]carbamate (PubChem CID 107240717) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is tert-butyl N-[4-fluoro-2-[(4-hydroxycyclohexyl)amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-fluoro-2-[(4-hydroxycyclohexyl)amino]phenyl]carbamate
PubChem CID107240717
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Nametert-butyl N-[4-fluoro-2-[(4-hydroxycyclohexyl)amino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(F)cc1NC1CCC(O)CC1
InChIInChI=1S/C17H25FN2O3/c1-17(2,3)23-16(22)20-14-9-4-11(18)10-15(14)19-12-5-7-13(21)8-6-12/h4,9-10,12-13,19,21H,5-8H2,1-3H3,(H,20,22)
InChIKeyBBCBKYMEVSNJEY-UHFFFAOYSA-N
XLogP3.89
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-fluoro-2-(thian-4-ylamino)phenyl]carbamate
CID 107240824
tert-butyl N-[2-[(1,1-dioxothiolan-3-yl)amino]-4-fluorophenyl]carbamate
CID 107240873
tert-butyl N-(2,5-difluorophenyl)carbamate
CID 14690685
tert-butyl N-[3-(2-chloro-5-fluoroanilino)cyclopentyl]carbamate
CID 107527251
tert-butyl N-[4-fluoro-2-(propanoylamino)phenyl]carbamate
CID 56783735
tert-butyl N-[2-[(1-cyclopropyl-2-methoxyethyl)amino]-4-fluorophenyl]carbamate
CID 107240818
tert-butyl N-[4-fluoro-2-(thiolan-3-ylmethylamino)phenyl]carbamate
CID 107240887
tert-butyl N-[2-(cycloheptylamino)phenyl]carbamate
CID 107240278
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4-fluorophenyl]carbamate
CID 107240750
tert-butyl N-[2-[(3-aminocyclopentyl)amino]-4-methoxyphenyl]carbamate
CID 107239722
methyl 4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 65142670
5-fluoro-2-[(4-hydroxycyclohexyl)amino]benzamide
CID 118939356

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-fluoro-2-[(4-hydroxycyclohexyl)amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-fluoro-2-[(4-hydroxycyclohexyl)amino]phenyl]carbamate (CID 107240717) is tert-butyl N-[4-fluoro-2-[(4-hydroxycyclohexyl)amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-fluoro-2-[(4-hydroxycyclohexyl)amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-fluoro-2-[(4-hydroxycyclohexyl)amino]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(F)cc1NC1CCC(O)CC1.
What is the InChIKey of tert-butyl N-[4-fluoro-2-[(4-hydroxycyclohexyl)amino]phenyl]carbamate?
The InChIKey is BBCBKYMEVSNJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-17(2,3)23-16(22)20-14-9-4-11(18)10-15(14)19-12-5-7-13(21)8-6-12/h4,9-10,12-13,19,21H,5-8H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl N-[4-fluoro-2-[(4-hydroxycyclohexyl)amino]phenyl]carbamate?
tert-butyl N-[4-fluoro-2-[(4-hydroxycyclohexyl)amino]phenyl]carbamate has a molecular weight of 324.40 g/mol, XLogP of 3.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-fluoro-2-[(4-hydroxycyclohexyl)amino]phenyl]carbamate is sourced from PubChem (CID 107240717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).