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

C16H16ClNO2 — CID 42624930

IUPAC[1-(4-chlorophenyl)-1-phenylethyl] N-methylcarbamate
SMILESCNC(=O)OC(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)
InChIKeyYNYFQNYNRVLQCC-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.96
Rot. Bonds3

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

[1-(4-chlorophenyl)-1-phenylethyl] N-methylcarbamate (PubChem CID 42624930) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-1-phenylethyl] N-methylcarbamate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-1-phenylethyl] N-methylcarbamate
PubChem CID42624930
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name[1-(4-chlorophenyl)-1-phenylethyl] N-methylcarbamate
SMILESCNC(=O)OC(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)
InChIKeyYNYFQNYNRVLQCC-UHFFFAOYSA-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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Related Compounds

1-(4-Chlorophenyl)-1-phenyl-2-propynylcarbamate
CID 25301
Tert-butyl (2-((2-(4-chlorophenyl)-1-iodopropan-2-yl)oxy)ethyl)carbamate
CID 15472737
Methyl 2-[(4-chlorophenyl)(4-fluorophenyl)methoxy]ethylcarbamate
CID 145923730
[1-(4-chlorophenyl)-3-fluorocyclobutyl] N-tert-butylcarbamate
CID 140840587
benzyl N-[3-(4-chloro-3-fluorophenyl)-3-hydroxybutyl]carbamate
CID 176234242
[(1S)-1-(4-chlorophenyl)-1-phenylethyl] N-methylcarbamate
CID 46850305
2-phenylbut-3-en-2-yl N-methylcarbamate
CID 102487562
[1-(4-chlorophenyl)-1-(4-methylphenyl)ethyl] N-methylcarbamate
CID 134941816
[1-(4-chlorophenyl)-1-(4-methoxyphenyl)ethyl] N-methylcarbamate
CID 134941820
[(1R)-1-(4-chlorophenyl)prop-2-enyl] N-propylcarbamate
CID 138973291
[2-(3-chlorophenyl)-1,1,1-trifluoropropan-2-yl] N-methylcarbamate
CID 134095157
benzyl N-[3-(4-chloro-2-fluorophenyl)prop-2-enyl]carbamate
CID 169471156

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-1-phenylethyl] N-methylcarbamate?
The IUPAC name of [1-(4-chlorophenyl)-1-phenylethyl] N-methylcarbamate (CID 42624930) is [1-(4-chlorophenyl)-1-phenylethyl] N-methylcarbamate.
What is the SMILES notation for [1-(4-chlorophenyl)-1-phenylethyl] N-methylcarbamate?
The canonical SMILES for [1-(4-chlorophenyl)-1-phenylethyl] N-methylcarbamate is CNC(=O)OC(C)(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-1-phenylethyl] N-methylcarbamate?
The InChIKey is YNYFQNYNRVLQCC-UHFFFAOYSA-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).
What are the key properties of [1-(4-chlorophenyl)-1-phenylethyl] N-methylcarbamate?
[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 [1-(4-chlorophenyl)-1-phenylethyl] N-methylcarbamate is sourced from PubChem (CID 42624930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).