[2-(3-chlorophenyl)-1-phenylethyl] carbamate

C15H14ClNO2 — CID 156884464

IUPAC[2-(3-chlorophenyl)-1-phenylethyl] carbamate
SMILESNC(=O)OC(Cc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C15H14ClNO2/c16-13-8-4-5-11(9-13)10-14(19-15(17)18)12-6-2-1-3-7-12/h1-9,14H,10H2,(H2,17,18)
InChIKeyNOLUVYXTGPIYIR-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.72
Rot. Bonds4

About [2-(3-chlorophenyl)-1-phenylethyl] carbamate

[2-(3-chlorophenyl)-1-phenylethyl] carbamate (PubChem CID 156884464) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-1-phenylethyl] carbamate.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-1-phenylethyl] carbamate
PubChem CID156884464
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name[2-(3-chlorophenyl)-1-phenylethyl] carbamate
SMILESNC(=O)OC(Cc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C15H14ClNO2/c16-13-8-4-5-11(9-13)10-14(19-15(17)18)12-6-2-1-3-7-12/h1-9,14H,10H2,(H2,17,18)
InChIKeyNOLUVYXTGPIYIR-UHFFFAOYSA-N
XLogP3.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-butoxyphenyl)-1-phenylethyl] carbamate
CID 69173726
1,3-diphenylpropyl carbamate
CID 154100927
[(2S)-2-amino-3-(3-chlorophenyl)propyl] carbamate
CID 70099288
[2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl] carbamate
CID 175530526
(2-amino-1-phenylethyl) carbamate
CID 57066991
2-(3-chlorophenyl)-1-phenylethanamine;hydrochloride
CID 3052534
(2-bromo-1-phenylethyl) carbamate
CID 175141510
(2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 39240389
1-chloro-3-(2-chloro-2-phenylethyl)benzene
CID 4737542
1-(3-chlorophenyl)ethyl carbamate
CID 121415275
2-chloro-3-(3-chlorophenyl)propanoic acid
CID 10867759
(2R)-3-(3-chlorophenyl)-2-methylpropanoic acid;molecular fluorine
CID 167711983

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)-1-phenylethyl] carbamate?
The IUPAC name of [2-(3-chlorophenyl)-1-phenylethyl] carbamate (CID 156884464) is [2-(3-chlorophenyl)-1-phenylethyl] carbamate.
What is the SMILES notation for [2-(3-chlorophenyl)-1-phenylethyl] carbamate?
The canonical SMILES for [2-(3-chlorophenyl)-1-phenylethyl] carbamate is NC(=O)OC(Cc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of [2-(3-chlorophenyl)-1-phenylethyl] carbamate?
The InChIKey is NOLUVYXTGPIYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c16-13-8-4-5-11(9-13)10-14(19-15(17)18)12-6-2-1-3-7-12/h1-9,14H,10H2,(H2,17,18).
What are the key properties of [2-(3-chlorophenyl)-1-phenylethyl] carbamate?
[2-(3-chlorophenyl)-1-phenylethyl] carbamate has a molecular weight of 275.74 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)-1-phenylethyl] carbamate is sourced from PubChem (CID 156884464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).