ethyl N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)carbamate

C15H15ClN2O2 — CID 110361011

IUPACethyl N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)carbamate
SMILESCCOC(=O)N(Cc1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O2/c1-2-20-15(19)18(11-12-4-3-9-17-10-12)14-7-5-13(16)6-8-14/h3-10H,2,11H2,1H3
InChIKeyIIGXFWGVPUFDGM-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.90
Rot. Bonds4

About ethyl N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)carbamate

ethyl N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)carbamate (PubChem CID 110361011) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is ethyl N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)carbamate
PubChem CID110361011
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Nameethyl N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)carbamate
SMILESCCOC(=O)N(Cc1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O2/c1-2-20-15(19)18(11-12-4-3-9-17-10-12)14-7-5-13(16)6-8-14/h3-10H,2,11H2,1H3
InChIKeyIIGXFWGVPUFDGM-UHFFFAOYSA-N
XLogP3.90
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[[2-(4-chlorophenoxy)acetyl]-(pyridin-3-ylmethyl)amino]benzoate
CID 22778176
ethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]-(pyridin-3-ylmethyl)amino]benzoate
CID 22781341
3-amino-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 39368333
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 110360399
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 110360995
ethyl 3-[(4-chlorophenyl)-(pyridin-3-ylmethyl)sulfamoyl]benzoate
CID 60611098
phenyl N-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)carbamate
CID 110360643
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)propane-2-sulfonamide
CID 14720281
ethyl 4-[(3-ethoxybenzoyl)-(pyridin-3-ylmethyl)amino]benzoate
CID 19631305
N-(pyridin-3-ylmethyl)propanehydrazide
CID 70312825
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 110360406
ethyl 4-[(2-chloro-5-nitrobenzoyl)-(pyridin-3-ylmethyl)amino]benzoate
CID 22781124

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)carbamate?
The IUPAC name of ethyl N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)carbamate (CID 110361011) is ethyl N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)carbamate.
What is the SMILES notation for ethyl N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)carbamate?
The canonical SMILES for ethyl N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)carbamate is CCOC(=O)N(Cc1cccnc1)c1ccc(Cl)cc1.
What is the InChIKey of ethyl N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)carbamate?
The InChIKey is IIGXFWGVPUFDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-2-20-15(19)18(11-12-4-3-9-17-10-12)14-7-5-13(16)6-8-14/h3-10H,2,11H2,1H3.
What are the key properties of ethyl N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)carbamate?
ethyl N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)carbamate has a molecular weight of 290.75 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)carbamate is sourced from PubChem (CID 110361011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).