[(1S)-1-(4-chlorophenyl)-1-phenylethyl] N-methylcarbamate

C16H16ClNO2 — CID 46850305

IUPAC[(1S)-1-(4-chlorophenyl)-1-phenylethyl] N-methylcarbamate
SMILESCNC(=O)O[C@@](C)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO2/c1-16(20-15(19)18-2,12-6-4-3-5-7-12)13-8-10-14(17)11-9-13/h3-11H,1-2H3,(H,18,19)/t16-/m0/s1
InChIKeyYNYFQNYNRVLQCC-INIZCTEOSA-N
MW289.76 g/mol
LogP3.96
Rot. Bonds3

About [(1S)-1-(4-chlorophenyl)-1-phenylethyl] N-methylcarbamate

[(1S)-1-(4-chlorophenyl)-1-phenylethyl] N-methylcarbamate (PubChem CID 46850305) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is [(1S)-1-(4-chlorophenyl)-1-phenylethyl] N-methylcarbamate.

Molecular Properties

Compound Name[(1S)-1-(4-chlorophenyl)-1-phenylethyl] N-methylcarbamate
PubChem CID46850305
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name[(1S)-1-(4-chlorophenyl)-1-phenylethyl] N-methylcarbamate
SMILESCNC(=O)O[C@@](C)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO2/c1-16(20-15(19)18-2,12-6-4-3-5-7-12)13-8-10-14(17)11-9-13/h3-11H,1-2H3,(H,18,19)/t16-/m0/s1
InChIKeyYNYFQNYNRVLQCC-INIZCTEOSA-N
XLogP3.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-chlorophenyl)-1-phenylethyl] N-methylcarbamate?
The IUPAC name of [(1S)-1-(4-chlorophenyl)-1-phenylethyl] N-methylcarbamate (CID 46850305) is [(1S)-1-(4-chlorophenyl)-1-phenylethyl] N-methylcarbamate.
What is the SMILES notation for [(1S)-1-(4-chlorophenyl)-1-phenylethyl] N-methylcarbamate?
The canonical SMILES for [(1S)-1-(4-chlorophenyl)-1-phenylethyl] N-methylcarbamate is CNC(=O)O[C@@](C)(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of [(1S)-1-(4-chlorophenyl)-1-phenylethyl] N-methylcarbamate?
The InChIKey is YNYFQNYNRVLQCC-INIZCTEOSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-16(20-15(19)18-2,12-6-4-3-5-7-12)13-8-10-14(17)11-9-13/h3-11H,1-2H3,(H,18,19)/t16-/m0/s1.
What are the key properties of [(1S)-1-(4-chlorophenyl)-1-phenylethyl] N-methylcarbamate?
[(1S)-1-(4-chlorophenyl)-1-phenylethyl] N-methylcarbamate has a molecular weight of 289.76 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-chlorophenyl)-1-phenylethyl] N-methylcarbamate is sourced from PubChem (CID 46850305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).