ethyl N-[(4-chlorophenyl)-phenylmethyl]carbamate

C16H16ClNO2 — CID 50917500

IUPACethyl N-[(4-chlorophenyl)-phenylmethyl]carbamate
SMILESCCOC(=O)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO2/c1-2-20-16(19)18-15(12-6-4-3-5-7-12)13-8-10-14(17)11-9-13/h3-11,15H,2H2,1H3,(H,18,19)
InChIKeyOONZNPURRNJKJG-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.18
Rot. Bonds4

About ethyl N-[(4-chlorophenyl)-phenylmethyl]carbamate

ethyl N-[(4-chlorophenyl)-phenylmethyl]carbamate (PubChem CID 50917500) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is ethyl N-[(4-chlorophenyl)-phenylmethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(4-chlorophenyl)-phenylmethyl]carbamate
PubChem CID50917500
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Nameethyl N-[(4-chlorophenyl)-phenylmethyl]carbamate
SMILESCCOC(=O)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO2/c1-2-20-16(19)18-15(12-6-4-3-5-7-12)13-8-10-14(17)11-9-13/h3-11,15H,2H2,1H3,(H,18,19)
InChIKeyOONZNPURRNJKJG-UHFFFAOYSA-N
XLogP4.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(4-chlorophenyl)-phenylmethyl]carbamate?
The IUPAC name of ethyl N-[(4-chlorophenyl)-phenylmethyl]carbamate (CID 50917500) is ethyl N-[(4-chlorophenyl)-phenylmethyl]carbamate.
What is the SMILES notation for ethyl N-[(4-chlorophenyl)-phenylmethyl]carbamate?
The canonical SMILES for ethyl N-[(4-chlorophenyl)-phenylmethyl]carbamate is CCOC(=O)NC(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of ethyl N-[(4-chlorophenyl)-phenylmethyl]carbamate?
The InChIKey is OONZNPURRNJKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-2-20-16(19)18-15(12-6-4-3-5-7-12)13-8-10-14(17)11-9-13/h3-11,15H,2H2,1H3,(H,18,19).
What are the key properties of ethyl N-[(4-chlorophenyl)-phenylmethyl]carbamate?
ethyl N-[(4-chlorophenyl)-phenylmethyl]carbamate has a molecular weight of 289.76 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(4-chlorophenyl)-phenylmethyl]carbamate is sourced from PubChem (CID 50917500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).