phenyl N-[3-(4-chlorophenyl)-3-hydroxypropyl]-N-methylcarbamate

C17H18ClNO3 — CID 69198446

IUPACphenyl N-[3-(4-chlorophenyl)-3-hydroxypropyl]-N-methylcarbamate
SMILESCN(CCC(O)c1ccc(Cl)cc1)C(=O)Oc1ccccc1
InChIInChI=1S/C17H18ClNO3/c1-19(17(21)22-15-5-3-2-4-6-15)12-11-16(20)13-7-9-14(18)10-8-13/h2-10,16,20H,11-12H2,1H3
InChIKeyVFUPBEOZZXSKCJ-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.89
Rot. Bonds5

About phenyl N-[3-(4-chlorophenyl)-3-hydroxypropyl]-N-methylcarbamate

phenyl N-[3-(4-chlorophenyl)-3-hydroxypropyl]-N-methylcarbamate (PubChem CID 69198446) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is phenyl N-[3-(4-chlorophenyl)-3-hydroxypropyl]-N-methylcarbamate.

Molecular Properties

Compound Namephenyl N-[3-(4-chlorophenyl)-3-hydroxypropyl]-N-methylcarbamate
PubChem CID69198446
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Namephenyl N-[3-(4-chlorophenyl)-3-hydroxypropyl]-N-methylcarbamate
SMILESCN(CCC(O)c1ccc(Cl)cc1)C(=O)Oc1ccccc1
InChIInChI=1S/C17H18ClNO3/c1-19(17(21)22-15-5-3-2-4-6-15)12-11-16(20)13-7-9-14(18)10-8-13/h2-10,16,20H,11-12H2,1H3
InChIKeyVFUPBEOZZXSKCJ-UHFFFAOYSA-N
XLogP3.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[3-(4-chlorophenyl)-3-hydroxypropyl]-N-methylcarbamate?
The IUPAC name of phenyl N-[3-(4-chlorophenyl)-3-hydroxypropyl]-N-methylcarbamate (CID 69198446) is phenyl N-[3-(4-chlorophenyl)-3-hydroxypropyl]-N-methylcarbamate.
What is the SMILES notation for phenyl N-[3-(4-chlorophenyl)-3-hydroxypropyl]-N-methylcarbamate?
The canonical SMILES for phenyl N-[3-(4-chlorophenyl)-3-hydroxypropyl]-N-methylcarbamate is CN(CCC(O)c1ccc(Cl)cc1)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[3-(4-chlorophenyl)-3-hydroxypropyl]-N-methylcarbamate?
The InChIKey is VFUPBEOZZXSKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-19(17(21)22-15-5-3-2-4-6-15)12-11-16(20)13-7-9-14(18)10-8-13/h2-10,16,20H,11-12H2,1H3.
What are the key properties of phenyl N-[3-(4-chlorophenyl)-3-hydroxypropyl]-N-methylcarbamate?
phenyl N-[3-(4-chlorophenyl)-3-hydroxypropyl]-N-methylcarbamate has a molecular weight of 319.79 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[3-(4-chlorophenyl)-3-hydroxypropyl]-N-methylcarbamate is sourced from PubChem (CID 69198446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).