tert-butyl N-[3-[(2-chloro-4-pyridinyl)oxy]phenyl]carbamate

C16H17ClN2O3 — CID 91109215

IUPACtert-butyl N-[3-[(2-chloro-4-pyridinyl)oxy]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(Oc2ccnc(Cl)c2)c1
InChIInChI=1S/C16H17ClN2O3/c1-16(2,3)22-15(20)19-11-5-4-6-12(9-11)21-13-7-8-18-14(17)10-13/h4-10H,1-3H3,(H,19,20)
InChIKeyURXXSUFWXYBXOB-UHFFFAOYSA-N
MW320.78 g/mol
LogP4.87
Rot. Bonds3

About tert-butyl N-[3-[(2-chloro-4-pyridinyl)oxy]phenyl]carbamate

tert-butyl N-[3-[(2-chloro-4-pyridinyl)oxy]phenyl]carbamate (PubChem CID 91109215) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is tert-butyl N-[3-[(2-chloro-4-pyridinyl)oxy]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2-chloro-4-pyridinyl)oxy]phenyl]carbamate
PubChem CID91109215
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Nametert-butyl N-[3-[(2-chloro-4-pyridinyl)oxy]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(Oc2ccnc(Cl)c2)c1
InChIInChI=1S/C16H17ClN2O3/c1-16(2,3)22-15(20)19-11-5-4-6-12(9-11)21-13-7-8-18-14(17)10-13/h4-10H,1-3H3,(H,19,20)
InChIKeyURXXSUFWXYBXOB-UHFFFAOYSA-N
XLogP4.87
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-[(3-pyridin-4-yloxyphenyl)carbamoyl]phenyl]carbamate
CID 157042654
tert-butyl N-[3-(2-aminopyrimidin-4-yl)oxyphenyl]carbamate
CID 133062095
tert-butyl N-[3-(5-bromo-2-chloropyrimidin-4-yl)oxyphenyl]carbamate
CID 57334481
methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]pyrimidine-2-carboxylate
CID 69411937
tert-butyl N-(3-ethoxyphenyl)carbamate
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tert-butyl N-[3-[(5-amino-2-pyridinyl)oxy]phenyl]carbamate
CID 57387079
tert-butyl N-[3-(4-amino-2-chlorophenoxy)phenyl]carbamate
CID 69161019
tert-butyl N-[3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]carbamate
CID 87629672
tert-butyl N-[3-(2-chloro-4-nitrophenoxy)phenyl]carbamate
CID 165179916
1-(2-chloro-4-pyridinyl)-3-(3-methoxyphenyl)urea
CID 86001834
tert-butyl N-[5-[(2-chloro-4-pyridinyl)oxy]-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]carbamate
CID 169196590
tert-butyl N-(3-sulfanylphenyl)carbamate
CID 11436060

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2-chloro-4-pyridinyl)oxy]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2-chloro-4-pyridinyl)oxy]phenyl]carbamate (CID 91109215) is tert-butyl N-[3-[(2-chloro-4-pyridinyl)oxy]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2-chloro-4-pyridinyl)oxy]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2-chloro-4-pyridinyl)oxy]phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(Oc2ccnc(Cl)c2)c1.
What is the InChIKey of tert-butyl N-[3-[(2-chloro-4-pyridinyl)oxy]phenyl]carbamate?
The InChIKey is URXXSUFWXYBXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-16(2,3)22-15(20)19-11-5-4-6-12(9-11)21-13-7-8-18-14(17)10-13/h4-10H,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[3-[(2-chloro-4-pyridinyl)oxy]phenyl]carbamate?
tert-butyl N-[3-[(2-chloro-4-pyridinyl)oxy]phenyl]carbamate has a molecular weight of 320.78 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(2-chloro-4-pyridinyl)oxy]phenyl]carbamate is sourced from PubChem (CID 91109215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).