[4-(4-chlorophenyl)phenyl] N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate

C22H20ClNO3 — CID 91518898

IUPAC[4-(4-chlorophenyl)phenyl] N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate
SMILESO=C(NCCc1ccc(CO)cc1)Oc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H20ClNO3/c23-20-9-5-18(6-10-20)19-7-11-21(12-8-19)27-22(26)24-14-13-16-1-3-17(15-25)4-2-16/h1-12,25H,13-15H2,(H,24,26)
InChIKeyLVJNADPEDURCDG-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.83
Rot. Bonds6

About [4-(4-chlorophenyl)phenyl] N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate

[4-(4-chlorophenyl)phenyl] N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate (PubChem CID 91518898) has the molecular formula C22H20ClNO3 and a molecular weight of 381.86 g/mol. Its IUPAC name is [4-(4-chlorophenyl)phenyl] N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate.

Molecular Properties

Compound Name[4-(4-chlorophenyl)phenyl] N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate
PubChem CID91518898
Molecular FormulaC22H20ClNO3
Molecular Weight381.86 g/mol
Exact Mass381.11
IUPAC Name[4-(4-chlorophenyl)phenyl] N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate
SMILESO=C(NCCc1ccc(CO)cc1)Oc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H20ClNO3/c23-20-9-5-18(6-10-20)19-7-11-21(12-8-19)27-22(26)24-14-13-16-1-3-17(15-25)4-2-16/h1-12,25H,13-15H2,(H,24,26)
InChIKeyLVJNADPEDURCDG-UHFFFAOYSA-N
XLogP4.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-chlorophenyl)phenyl] N-[2-[4-(bromomethyl)phenyl]ethyl]carbamate
CID 91140586
[4-(4-chlorophenyl)phenyl] N-[2-[2-bromo-4-(hydroxymethyl)phenyl]ethyl]carbamate
CID 90846641
(4-methylphenyl) N-(2-phenylethyl)carbamate
CID 10801006
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
[4-(4-bromophenyl)phenyl] N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]carbamate
CID 90758353
phenyl N-(2-phenylethyl)carbamate
CID 12632743
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
[4-(hydroxymethyl)phenyl] N-[(4-methylphenyl)methyl]carbamate
CID 21130773
N-[2-(4-chlorophenyl)ethyl]-2-hydroxyacetamide
CID 16769436
tert-butyl N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate
CID 22337080
[4-(2-aminoethyl)phenyl] N-propylcarbamate
CID 79338383
1-[(4-chlorophenoxy)methyl]-3-[2-(4-chlorophenyl)ethyl]urea
CID 108885405

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)phenyl] N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate?
The IUPAC name of [4-(4-chlorophenyl)phenyl] N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate (CID 91518898) is [4-(4-chlorophenyl)phenyl] N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate.
What is the SMILES notation for [4-(4-chlorophenyl)phenyl] N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate?
The canonical SMILES for [4-(4-chlorophenyl)phenyl] N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate is O=C(NCCc1ccc(CO)cc1)Oc1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of [4-(4-chlorophenyl)phenyl] N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate?
The InChIKey is LVJNADPEDURCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO3/c23-20-9-5-18(6-10-20)19-7-11-21(12-8-19)27-22(26)24-14-13-16-1-3-17(15-25)4-2-16/h1-12,25H,13-15H2,(H,24,26).
What are the key properties of [4-(4-chlorophenyl)phenyl] N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate?
[4-(4-chlorophenyl)phenyl] N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate has a molecular weight of 381.86 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)phenyl] N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate is sourced from PubChem (CID 91518898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).