[2-(4-chlorophenoxy)-3-pyridinyl]methyl N-(2-methylphenyl)carbamate

C20H17ClN2O3 — CID 3788376

IUPAC[2-(4-chlorophenoxy)-3-pyridinyl]methyl N-(2-methylphenyl)carbamate
SMILESCc1ccccc1NC(=O)OCc1cccnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN2O3/c1-14-5-2-3-7-18(14)23-20(24)25-13-15-6-4-12-22-19(15)26-17-10-8-16(21)9-11-17/h2-12H,13H2,1H3,(H,23,24)
InChIKeyWKGKZXOKDMWIDV-UHFFFAOYSA-N
MW368.82 g/mol
LogP5.58
Rot. Bonds5

About [2-(4-chlorophenoxy)-3-pyridinyl]methyl N-(2-methylphenyl)carbamate

[2-(4-chlorophenoxy)-3-pyridinyl]methyl N-(2-methylphenyl)carbamate (PubChem CID 3788376) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is [2-(4-chlorophenoxy)-3-pyridinyl]methyl N-(2-methylphenyl)carbamate.

Molecular Properties

Compound Name[2-(4-chlorophenoxy)-3-pyridinyl]methyl N-(2-methylphenyl)carbamate
PubChem CID3788376
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC Name[2-(4-chlorophenoxy)-3-pyridinyl]methyl N-(2-methylphenyl)carbamate
SMILESCc1ccccc1NC(=O)OCc1cccnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN2O3/c1-14-5-2-3-7-18(14)23-20(24)25-13-15-6-4-12-22-19(15)26-17-10-8-16(21)9-11-17/h2-12H,13H2,1H3,(H,23,24)
InChIKeyWKGKZXOKDMWIDV-UHFFFAOYSA-N
XLogP5.58
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.82
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenoxy)-3-pyridinyl]methyl N-(2-methylphenyl)carbamate?
The IUPAC name of [2-(4-chlorophenoxy)-3-pyridinyl]methyl N-(2-methylphenyl)carbamate (CID 3788376) is [2-(4-chlorophenoxy)-3-pyridinyl]methyl N-(2-methylphenyl)carbamate.
What is the SMILES notation for [2-(4-chlorophenoxy)-3-pyridinyl]methyl N-(2-methylphenyl)carbamate?
The canonical SMILES for [2-(4-chlorophenoxy)-3-pyridinyl]methyl N-(2-methylphenyl)carbamate is Cc1ccccc1NC(=O)OCc1cccnc1Oc1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenoxy)-3-pyridinyl]methyl N-(2-methylphenyl)carbamate?
The InChIKey is WKGKZXOKDMWIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c1-14-5-2-3-7-18(14)23-20(24)25-13-15-6-4-12-22-19(15)26-17-10-8-16(21)9-11-17/h2-12H,13H2,1H3,(H,23,24).
What are the key properties of [2-(4-chlorophenoxy)-3-pyridinyl]methyl N-(2-methylphenyl)carbamate?
[2-(4-chlorophenoxy)-3-pyridinyl]methyl N-(2-methylphenyl)carbamate has a molecular weight of 368.82 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenoxy)-3-pyridinyl]methyl N-(2-methylphenyl)carbamate is sourced from PubChem (CID 3788376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).