[4-(chloromethyl)phenyl]methyl N-(pyridin-2-ylmethyl)carbamate

C15H15ClN2O2 — CID 143186995

IUPAC[4-(chloromethyl)phenyl]methyl N-(pyridin-2-ylmethyl)carbamate
SMILESO=C(NCc1ccccn1)OCc1ccc(CCl)cc1
InChIInChI=1S/C15H15ClN2O2/c16-9-12-4-6-13(7-5-12)11-20-15(19)18-10-14-3-1-2-8-17-14/h1-8H,9-11H2,(H,18,19)
InChIKeyAJSAKZCITXWWDL-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.25
Rot. Bonds5

About [4-(chloromethyl)phenyl]methyl N-(pyridin-2-ylmethyl)carbamate

[4-(chloromethyl)phenyl]methyl N-(pyridin-2-ylmethyl)carbamate (PubChem CID 143186995) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is [4-(chloromethyl)phenyl]methyl N-(pyridin-2-ylmethyl)carbamate.

Molecular Properties

Compound Name[4-(chloromethyl)phenyl]methyl N-(pyridin-2-ylmethyl)carbamate
PubChem CID143186995
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name[4-(chloromethyl)phenyl]methyl N-(pyridin-2-ylmethyl)carbamate
SMILESO=C(NCc1ccccn1)OCc1ccc(CCl)cc1
InChIInChI=1S/C15H15ClN2O2/c16-9-12-4-6-13(7-5-12)11-20-15(19)18-10-14-3-1-2-8-17-14/h1-8H,9-11H2,(H,18,19)
InChIKeyAJSAKZCITXWWDL-UHFFFAOYSA-N
XLogP3.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[[methyl(pyridin-2-ylmethyl)phosphoryl]methyl]carbamate
CID 59188796
benzyl N-[(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]carbamate
CID 110088810
(4-chlorophenyl)methyl N-[4-(pyridin-2-ylmethyl)phenyl]carbamate
CID 171824793
benzyl N-[[4-(pyridin-2-ylcarbamoyl)phenyl]methyl]carbamate
CID 66870491
pyridin-2-ylmethylcarbamothioic S-acid
CID 22756402
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924
benzyl N-[[6-(phenylmethoxycarbonylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]carbamate
CID 71477342
[3-hydroxy-2-(pyridin-2-ylmethylcarbamoyloxy)propyl] N-(3-hydroxypropyl)carbamate
CID 67808772
2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 842504
1-[(4-bromophenyl)methyl]-3-(pyridin-2-ylmethyl)urea
CID 108899435
2-(phenylmethoxycarbonylamino)-4-pyridin-2-ylbutanoic acid
CID 103666139
benzyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate
CID 106483896

Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)phenyl]methyl N-(pyridin-2-ylmethyl)carbamate?
The IUPAC name of [4-(chloromethyl)phenyl]methyl N-(pyridin-2-ylmethyl)carbamate (CID 143186995) is [4-(chloromethyl)phenyl]methyl N-(pyridin-2-ylmethyl)carbamate.
What is the SMILES notation for [4-(chloromethyl)phenyl]methyl N-(pyridin-2-ylmethyl)carbamate?
The canonical SMILES for [4-(chloromethyl)phenyl]methyl N-(pyridin-2-ylmethyl)carbamate is O=C(NCc1ccccn1)OCc1ccc(CCl)cc1.
What is the InChIKey of [4-(chloromethyl)phenyl]methyl N-(pyridin-2-ylmethyl)carbamate?
The InChIKey is AJSAKZCITXWWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-9-12-4-6-13(7-5-12)11-20-15(19)18-10-14-3-1-2-8-17-14/h1-8H,9-11H2,(H,18,19).
What are the key properties of [4-(chloromethyl)phenyl]methyl N-(pyridin-2-ylmethyl)carbamate?
[4-(chloromethyl)phenyl]methyl N-(pyridin-2-ylmethyl)carbamate has a molecular weight of 290.75 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)phenyl]methyl N-(pyridin-2-ylmethyl)carbamate is sourced from PubChem (CID 143186995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).