[2-[(4-chloro-3-pyridinyl)methyl]phenyl]methyl N,N-dimethylcarbamate

C16H17ClN2O2 — CID 23363549

IUPAC[2-[(4-chloro-3-pyridinyl)methyl]phenyl]methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCc1ccccc1Cc1cnccc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-19(2)16(20)21-11-13-6-4-3-5-12(13)9-14-10-18-8-7-15(14)17/h3-8,10H,9,11H2,1-2H3
InChIKeyPTKDZFVSVDSBOA-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.52
Rot. Bonds4

About [2-[(4-chloro-3-pyridinyl)methyl]phenyl]methyl N,N-dimethylcarbamate

[2-[(4-chloro-3-pyridinyl)methyl]phenyl]methyl N,N-dimethylcarbamate (PubChem CID 23363549) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is [2-[(4-chloro-3-pyridinyl)methyl]phenyl]methyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name[2-[(4-chloro-3-pyridinyl)methyl]phenyl]methyl N,N-dimethylcarbamate
PubChem CID23363549
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name[2-[(4-chloro-3-pyridinyl)methyl]phenyl]methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCc1ccccc1Cc1cnccc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-19(2)16(20)21-11-13-6-4-3-5-12(13)9-14-10-18-8-7-15(14)17/h3-8,10H,9,11H2,1-2H3
InChIKeyPTKDZFVSVDSBOA-UHFFFAOYSA-N
XLogP3.52
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-chloro-3-pyridinyl)methyl]phenyl]methyl N,N-dimethylcarbamate?
The IUPAC name of [2-[(4-chloro-3-pyridinyl)methyl]phenyl]methyl N,N-dimethylcarbamate (CID 23363549) is [2-[(4-chloro-3-pyridinyl)methyl]phenyl]methyl N,N-dimethylcarbamate.
What is the SMILES notation for [2-[(4-chloro-3-pyridinyl)methyl]phenyl]methyl N,N-dimethylcarbamate?
The canonical SMILES for [2-[(4-chloro-3-pyridinyl)methyl]phenyl]methyl N,N-dimethylcarbamate is CN(C)C(=O)OCc1ccccc1Cc1cnccc1Cl.
What is the InChIKey of [2-[(4-chloro-3-pyridinyl)methyl]phenyl]methyl N,N-dimethylcarbamate?
The InChIKey is PTKDZFVSVDSBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-19(2)16(20)21-11-13-6-4-3-5-12(13)9-14-10-18-8-7-15(14)17/h3-8,10H,9,11H2,1-2H3.
What are the key properties of [2-[(4-chloro-3-pyridinyl)methyl]phenyl]methyl N,N-dimethylcarbamate?
[2-[(4-chloro-3-pyridinyl)methyl]phenyl]methyl N,N-dimethylcarbamate has a molecular weight of 304.78 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chloro-3-pyridinyl)methyl]phenyl]methyl N,N-dimethylcarbamate is sourced from PubChem (CID 23363549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).