tert-butyl N-[2-chloro-5-(1-hydroxycyclopropyl)phenyl]carbamate

C14H18ClNO3 — CID 117117411

IUPACtert-butyl N-[2-chloro-5-(1-hydroxycyclopropyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(C2(O)CC2)ccc1Cl
InChIInChI=1S/C14H18ClNO3/c1-13(2,3)19-12(17)16-11-8-9(4-5-10(11)15)14(18)6-7-14/h4-5,8,18H,6-7H2,1-3H3,(H,16,17)
InChIKeyRYULWBOBFKPZSO-UHFFFAOYSA-N
MW283.75 g/mol
LogP3.67
Rot. Bonds2

About tert-butyl N-[2-chloro-5-(1-hydroxycyclopropyl)phenyl]carbamate

tert-butyl N-[2-chloro-5-(1-hydroxycyclopropyl)phenyl]carbamate (PubChem CID 117117411) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is tert-butyl N-[2-chloro-5-(1-hydroxycyclopropyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-chloro-5-(1-hydroxycyclopropyl)phenyl]carbamate
PubChem CID117117411
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Nametert-butyl N-[2-chloro-5-(1-hydroxycyclopropyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(C2(O)CC2)ccc1Cl
InChIInChI=1S/C14H18ClNO3/c1-13(2,3)19-12(17)16-11-8-9(4-5-10(11)15)14(18)6-7-14/h4-5,8,18H,6-7H2,1-3H3,(H,16,17)
InChIKeyRYULWBOBFKPZSO-UHFFFAOYSA-N
XLogP3.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-fluoro-5-(1-hydroxycyclopropyl)phenyl]carbamate
CID 117421544
tert-butyl N-(2,5-dichlorophenyl)carbamate
CID 4935502
tert-butyl N-[2-chloro-5-(methylcarbamoyl)phenyl]carbamate
CID 65142598
tert-butyl N-(2-chloro-5-nitrophenyl)carbamate
CID 58553070
tert-butyl N-[5-(1-aminocyclopentyl)-2-methylphenyl]carbamate
CID 117112807
tert-butyl N-[5-(1-aminocyclopentyl)-2-hydroxyphenyl]carbamate
CID 117472222
4-[4-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]piperazine-1-carboxylic acid
CID 174687269
tert-butyl N-[2-chloro-5-(2-hydroxypropyl)phenyl]carbamate
CID 117114508
tert-butyl N-[5-(1-aminocyclobutyl)-2-methylphenyl]carbamate
CID 117112937
tert-butyl N-(2-chloro-4-hydroxyphenyl)carbamate
CID 54121498
2-[1-[4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]cyclopropyl]acetic acid
CID 117492320
tert-butyl 4-(4-chloro-3-methylphenyl)-4-hydroxypiperidine-1-carboxylate
CID 123559362

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-chloro-5-(1-hydroxycyclopropyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-chloro-5-(1-hydroxycyclopropyl)phenyl]carbamate (CID 117117411) is tert-butyl N-[2-chloro-5-(1-hydroxycyclopropyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-chloro-5-(1-hydroxycyclopropyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-chloro-5-(1-hydroxycyclopropyl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1cc(C2(O)CC2)ccc1Cl.
What is the InChIKey of tert-butyl N-[2-chloro-5-(1-hydroxycyclopropyl)phenyl]carbamate?
The InChIKey is RYULWBOBFKPZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-13(2,3)19-12(17)16-11-8-9(4-5-10(11)15)14(18)6-7-14/h4-5,8,18H,6-7H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-[2-chloro-5-(1-hydroxycyclopropyl)phenyl]carbamate?
tert-butyl N-[2-chloro-5-(1-hydroxycyclopropyl)phenyl]carbamate has a molecular weight of 283.75 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-chloro-5-(1-hydroxycyclopropyl)phenyl]carbamate is sourced from PubChem (CID 117117411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).