(4-methoxyphenyl)methyl N-[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]carbamate

C16H17ClN2O4 — CID 134448147

IUPAC(4-methoxyphenyl)methyl N-[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]carbamate
SMILESCOc1ccc(COC(=O)NC[C@H](O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C16H17ClN2O4/c1-22-13-5-2-11(3-6-13)10-23-16(21)19-9-14(20)12-4-7-15(17)18-8-12/h2-8,14,20H,9-10H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyYHMCOGWEILLUCX-AWEZNQCLSA-N
MW336.78 g/mol
LogP2.70
Rot. Bonds6

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

(4-methoxyphenyl)methyl N-[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]carbamate (PubChem CID 134448147) has the molecular formula C16H17ClN2O4 and a molecular weight of 336.78 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl N-[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl N-[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]carbamate
PubChem CID134448147
Molecular FormulaC16H17ClN2O4
Molecular Weight336.78 g/mol
Exact Mass336.09
IUPAC Name(4-methoxyphenyl)methyl N-[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]carbamate
SMILESCOc1ccc(COC(=O)NC[C@H](O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C16H17ClN2O4/c1-22-13-5-2-11(3-6-13)10-23-16(21)19-9-14(20)12-4-7-15(17)18-8-12/h2-8,14,20H,9-10H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyYHMCOGWEILLUCX-AWEZNQCLSA-N
XLogP2.70
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-methoxyphenyl)methyl N-[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 137321016
(4-methoxyphenyl)methyl 2,5-dichloropyridine-4-carboxylate
CID 114929193
[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl] N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 140543896
2-[(6-chloro-3-pyridinyl)methylamino]-1-(3,5-dimethoxyphenyl)ethanol
CID 111916706
(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
CID 59492005
1-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119293242
(6-chloro-3-pyridinyl)methyl 6-methoxynaphthalene-2-carboxylate
CID 32810227
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(6-chloro-3-pyridinyl)methyl]urea
CID 110900450
(4-methoxyphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate
CID 127523781
benzyl N-[(2S)-2,3-dihydroxy-1-(4-methoxyphenyl)propyl]carbamate
CID 126575938
(6-chloro-3-pyridinyl)methyl 3-(4-propan-2-ylphenyl)propanoate
CID 60562428
(4-methoxyphenyl) N-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]carbamate
CID 110188571

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl N-[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]carbamate?
The IUPAC name of (4-methoxyphenyl)methyl N-[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]carbamate (CID 134448147) is (4-methoxyphenyl)methyl N-[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]carbamate.
What is the SMILES notation for (4-methoxyphenyl)methyl N-[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]carbamate?
The canonical SMILES for (4-methoxyphenyl)methyl N-[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]carbamate is COc1ccc(COC(=O)NC[C@H](O)c2ccc(Cl)nc2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl N-[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]carbamate?
The InChIKey is YHMCOGWEILLUCX-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17ClN2O4/c1-22-13-5-2-11(3-6-13)10-23-16(21)19-9-14(20)12-4-7-15(17)18-8-12/h2-8,14,20H,9-10H2,1H3,(H,19,21)/t14-/m0/s1.
What are the key properties of (4-methoxyphenyl)methyl N-[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]carbamate?
(4-methoxyphenyl)methyl N-[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]carbamate has a molecular weight of 336.78 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl N-[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]carbamate is sourced from PubChem (CID 134448147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).