tert-butyl N-[2-(5-chloropyridine-2-carbonyl)-6-methoxyphenyl]carbamate

C18H19ClN2O4 — CID 86713384

IUPACtert-butyl N-[2-(5-chloropyridine-2-carbonyl)-6-methoxyphenyl]carbamate
SMILESCOc1cccc(C(=O)c2ccc(Cl)cn2)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C18H19ClN2O4/c1-18(2,3)25-17(23)21-15-12(6-5-7-14(15)24-4)16(22)13-9-8-11(19)10-20-13/h5-10H,1-4H3,(H,21,23)
InChIKeyAXRWNSYMEZNLDG-UHFFFAOYSA-N
MW362.81 g/mol
LogP4.32
Rot. Bonds4

About tert-butyl N-[2-(5-chloropyridine-2-carbonyl)-6-methoxyphenyl]carbamate

tert-butyl N-[2-(5-chloropyridine-2-carbonyl)-6-methoxyphenyl]carbamate (PubChem CID 86713384) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is tert-butyl N-[2-(5-chloropyridine-2-carbonyl)-6-methoxyphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(5-chloropyridine-2-carbonyl)-6-methoxyphenyl]carbamate
PubChem CID86713384
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Nametert-butyl N-[2-(5-chloropyridine-2-carbonyl)-6-methoxyphenyl]carbamate
SMILESCOc1cccc(C(=O)c2ccc(Cl)cn2)c1NC(=O)OC(C)(C)C
InChIInChI=1S/C18H19ClN2O4/c1-18(2,3)25-17(23)21-15-12(6-5-7-14(15)24-4)16(22)13-9-8-11(19)10-20-13/h5-10H,1-4H3,(H,21,23)
InChIKeyAXRWNSYMEZNLDG-UHFFFAOYSA-N
XLogP4.32
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(5-chloro-2-pyridinyl)-2-hydroxy-3-methoxybenzamide
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(5-chloro-2-pyridinyl)-(3,5-dimethoxy-4-methylphenyl)methanone
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tert-butyl N-[5-(3-chloroanilino)-2-pyridinyl]carbamate
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tert-butyl N-[6-(4-chloroanilino)-3-pyridinyl]carbamate
CID 113018638
methyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 69368154
tert-butyl N-(2-hydroxy-3-methoxyphenyl)carbamate
CID 10955644
tert-butyl N-[6-(2-methoxyanilino)-3-pyridinyl]carbamate
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methyl 5-chloropyridine-2-carboxylate
CID 11298216
tert-butyl N-(2-iodo-3-methoxyphenyl)carbamate
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tert-butyl N-[2-fluoro-6-(2-methylpropanoyl)phenyl]carbamate
CID 11242993

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(5-chloropyridine-2-carbonyl)-6-methoxyphenyl]carbamate?
The IUPAC name of tert-butyl N-[2-(5-chloropyridine-2-carbonyl)-6-methoxyphenyl]carbamate (CID 86713384) is tert-butyl N-[2-(5-chloropyridine-2-carbonyl)-6-methoxyphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(5-chloropyridine-2-carbonyl)-6-methoxyphenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(5-chloropyridine-2-carbonyl)-6-methoxyphenyl]carbamate is COc1cccc(C(=O)c2ccc(Cl)cn2)c1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(5-chloropyridine-2-carbonyl)-6-methoxyphenyl]carbamate?
The InChIKey is AXRWNSYMEZNLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-18(2,3)25-17(23)21-15-12(6-5-7-14(15)24-4)16(22)13-9-8-11(19)10-20-13/h5-10H,1-4H3,(H,21,23).
What are the key properties of tert-butyl N-[2-(5-chloropyridine-2-carbonyl)-6-methoxyphenyl]carbamate?
tert-butyl N-[2-(5-chloropyridine-2-carbonyl)-6-methoxyphenyl]carbamate has a molecular weight of 362.81 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(5-chloropyridine-2-carbonyl)-6-methoxyphenyl]carbamate is sourced from PubChem (CID 86713384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).