2-hydroxyethyl N-[(1R)-1-(4-chlorophenyl)ethyl]carbamate

C11H14ClNO3 — CID 81355345

IUPAC2-hydroxyethyl N-[(1R)-1-(4-chlorophenyl)ethyl]carbamate
SMILESC[C@@H](NC(=O)OCCO)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO3/c1-8(13-11(15)16-7-6-14)9-2-4-10(12)5-3-9/h2-5,8,14H,6-7H2,1H3,(H,13,15)/t8-/m1/s1
InChIKeyVHEQFCOUTFOHAU-MRVPVSSYSA-N
MW243.69 g/mol
LogP2.12
Rot. Bonds4

About 2-hydroxyethyl N-[(1R)-1-(4-chlorophenyl)ethyl]carbamate

2-hydroxyethyl N-[(1R)-1-(4-chlorophenyl)ethyl]carbamate (PubChem CID 81355345) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-hydroxyethyl N-[(1R)-1-(4-chlorophenyl)ethyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[(1R)-1-(4-chlorophenyl)ethyl]carbamate
PubChem CID81355345
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name2-hydroxyethyl N-[(1R)-1-(4-chlorophenyl)ethyl]carbamate
SMILESC[C@@H](NC(=O)OCCO)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO3/c1-8(13-11(15)16-7-6-14)9-2-4-10(12)5-3-9/h2-5,8,14H,6-7H2,1H3,(H,13,15)/t8-/m1/s1
InChIKeyVHEQFCOUTFOHAU-MRVPVSSYSA-N
XLogP2.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxyethyl N-[(1R)-1-(4-methylphenyl)ethyl]carbamate
CID 81357175
2-hydroxyethyl N-[1-(4-methylsulfanylphenyl)ethyl]carbamate
CID 79346209
2,2,2-trifluoroethyl N-[1-(4-chlorophenyl)ethyl]carbamate
CID 65173896
tert-butyl N-[(1S)-1-(4-chlorophenyl)ethyl]carbamate
CID 81353770
1-[1-(4-chlorophenyl)ethyl]-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110024080
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxybutanamide
CID 81354540
2-hydroxyethyl N-[(1S)-1-(3-methylphenyl)ethyl]carbamate
CID 81361011
[(1S)-1-(4-chlorophenyl)ethyl]carbamic acid
CID 155021809
N-[1-(4-chlorophenyl)ethyl]-2-methoxyacetamide
CID 18374039
2-hydroxyethyl N-[1-(furan-2-yl)ethyl]carbamate
CID 79345496
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
N-[1-(4-chlorophenyl)ethyl]-3-oxobutanamide
CID 18072303

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[(1R)-1-(4-chlorophenyl)ethyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[(1R)-1-(4-chlorophenyl)ethyl]carbamate (CID 81355345) is 2-hydroxyethyl N-[(1R)-1-(4-chlorophenyl)ethyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[(1R)-1-(4-chlorophenyl)ethyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[(1R)-1-(4-chlorophenyl)ethyl]carbamate is C[C@@H](NC(=O)OCCO)c1ccc(Cl)cc1.
What is the InChIKey of 2-hydroxyethyl N-[(1R)-1-(4-chlorophenyl)ethyl]carbamate?
The InChIKey is VHEQFCOUTFOHAU-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-8(13-11(15)16-7-6-14)9-2-4-10(12)5-3-9/h2-5,8,14H,6-7H2,1H3,(H,13,15)/t8-/m1/s1.
What are the key properties of 2-hydroxyethyl N-[(1R)-1-(4-chlorophenyl)ethyl]carbamate?
2-hydroxyethyl N-[(1R)-1-(4-chlorophenyl)ethyl]carbamate has a molecular weight of 243.69 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[(1R)-1-(4-chlorophenyl)ethyl]carbamate is sourced from PubChem (CID 81355345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).