[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl] N-[2-(4-hydroxyphenyl)ethyl]carbamate

C16H17ClN2O4 — CID 140543896

IUPAC[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl] N-[2-(4-hydroxyphenyl)ethyl]carbamate
SMILESO=C(NCCc1ccc(O)cc1)OC[C@H](O)c1ccc(Cl)nc1
InChIInChI=1S/C16H17ClN2O4/c17-15-6-3-12(9-19-15)14(21)10-23-16(22)18-8-7-11-1-4-13(20)5-2-11/h1-6,9,14,20-21H,7-8,10H2,(H,18,22)/t14-/m0/s1
InChIKeyDZVKHIRUSRWYPX-AWEZNQCLSA-N
MW336.78 g/mol
LogP2.44
Rot. Bonds6

About [(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl] N-[2-(4-hydroxyphenyl)ethyl]carbamate

[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl] N-[2-(4-hydroxyphenyl)ethyl]carbamate (PubChem CID 140543896) has the molecular formula C16H17ClN2O4 and a molecular weight of 336.78 g/mol. Its IUPAC name is [(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl] N-[2-(4-hydroxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Name[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl] N-[2-(4-hydroxyphenyl)ethyl]carbamate
PubChem CID140543896
Molecular FormulaC16H17ClN2O4
Molecular Weight336.78 g/mol
Exact Mass336.09
IUPAC Name[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl] N-[2-(4-hydroxyphenyl)ethyl]carbamate
SMILESO=C(NCCc1ccc(O)cc1)OC[C@H](O)c1ccc(Cl)nc1
InChIInChI=1S/C16H17ClN2O4/c17-15-6-3-12(9-19-15)14(21)10-23-16(22)18-8-7-11-1-4-13(20)5-2-11/h1-6,9,14,20-21H,7-8,10H2,(H,18,22)/t14-/m0/s1
InChIKeyDZVKHIRUSRWYPX-AWEZNQCLSA-N
XLogP2.44
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-phenylpropyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 6737224
(4-methoxyphenyl)methyl N-[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]carbamate
CID 134448147
5-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyrazine-2-carboxamide
CID 107252358
benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 14103856
[(1R)-1-(6-chloro-3-pyridinyl)-1-hydroxy-3-[(4-hydroxyphenyl)methyl]-4,4-dimethylpentan-3-yl] carbamate
CID 87961931
(6-chloro-3-pyridinyl)methyl 3-(4-propan-2-ylphenyl)propanoate
CID 60562428
1-(6-chloro-3-pyridinyl)-2-[2-(4-methylphenyl)ethylamino]ethanol;ethane
CID 144822008
(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-N,N'-bis[2-(4-hydroxyphenyl)ethyl]hexanediamide
CID 91262549
(4-phenylphenyl)methyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 162509952
2,6-dichloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide
CID 61237115
4-[2-[[(2S)-2-(5,6-dichloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenol
CID 87675015
N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-4-[2-[[2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methylbenzamide
CID 123145441

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl] N-[2-(4-hydroxyphenyl)ethyl]carbamate?
The IUPAC name of [(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl] N-[2-(4-hydroxyphenyl)ethyl]carbamate (CID 140543896) is [(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl] N-[2-(4-hydroxyphenyl)ethyl]carbamate.
What is the SMILES notation for [(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl] N-[2-(4-hydroxyphenyl)ethyl]carbamate?
The canonical SMILES for [(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl] N-[2-(4-hydroxyphenyl)ethyl]carbamate is O=C(NCCc1ccc(O)cc1)OC[C@H](O)c1ccc(Cl)nc1.
What is the InChIKey of [(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl] N-[2-(4-hydroxyphenyl)ethyl]carbamate?
The InChIKey is DZVKHIRUSRWYPX-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17ClN2O4/c17-15-6-3-12(9-19-15)14(21)10-23-16(22)18-8-7-11-1-4-13(20)5-2-11/h1-6,9,14,20-21H,7-8,10H2,(H,18,22)/t14-/m0/s1.
What are the key properties of [(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl] N-[2-(4-hydroxyphenyl)ethyl]carbamate?
[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl] N-[2-(4-hydroxyphenyl)ethyl]carbamate has a molecular weight of 336.78 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl] N-[2-(4-hydroxyphenyl)ethyl]carbamate is sourced from PubChem (CID 140543896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).