1-(3-chlorophenyl)ethyl carbamate

C9H10ClNO2 — CID 121415275

IUPAC1-(3-chlorophenyl)ethyl carbamate
SMILESCC(OC(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C9H10ClNO2/c1-6(13-9(11)12)7-3-2-4-8(10)5-7/h2-6H,1H3,(H2,11,12)
InChIKeyRYTPTCUSZFZETG-UHFFFAOYSA-N
MW199.64 g/mol
LogP2.50
Rot. Bonds2

About 1-(3-chlorophenyl)ethyl carbamate

1-(3-chlorophenyl)ethyl carbamate (PubChem CID 121415275) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 1-(3-chlorophenyl)ethyl carbamate.

Molecular Properties

Compound Name1-(3-chlorophenyl)ethyl carbamate
PubChem CID121415275
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name1-(3-chlorophenyl)ethyl carbamate
SMILESCC(OC(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C9H10ClNO2/c1-6(13-9(11)12)7-3-2-4-8(10)5-7/h2-6H,1H3,(H2,11,12)
InChIKeyRYTPTCUSZFZETG-UHFFFAOYSA-N
XLogP2.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)ethyl carbamate
CID 174605012
[(1S)-1-(4-chlorophenyl)ethyl] carbamate
CID 174363782
propan-2-yl 2-amino-2-(3-chlorophenyl)acetate
CID 141482559
1-chloro-3-(1-methoxyethyl)benzene
CID 19931374
1-(3-chlorophenyl)ethyl N-(2-chloro-2-methylpropanoyl)carbamate
CID 165130700
(2R)-2-amino-2-(3-chlorophenyl)acetamide
CID 11286873
[2-(3-chlorophenyl)-1-phenylethyl] carbamate
CID 156884464
[(1R)-1-[3-[(1R)-1-acetyloxyethyl]phenyl]ethyl] acetate
CID 11776874
methyl 2-(3-chlorophenyl)-2-(2-methylpropylamino)acetate
CID 54894670
ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]propanoate
CID 62979536
1-(3-chlorophenyl)-2-methoxy-2-oxoethanediazonium
CID 175456753
methyl (2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propanoate
CID 139647161

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)ethyl carbamate?
The IUPAC name of 1-(3-chlorophenyl)ethyl carbamate (CID 121415275) is 1-(3-chlorophenyl)ethyl carbamate.
What is the SMILES notation for 1-(3-chlorophenyl)ethyl carbamate?
The canonical SMILES for 1-(3-chlorophenyl)ethyl carbamate is CC(OC(N)=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)ethyl carbamate?
The InChIKey is RYTPTCUSZFZETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-6(13-9(11)12)7-3-2-4-8(10)5-7/h2-6H,1H3,(H2,11,12).
What are the key properties of 1-(3-chlorophenyl)ethyl carbamate?
1-(3-chlorophenyl)ethyl carbamate has a molecular weight of 199.64 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)ethyl carbamate is sourced from PubChem (CID 121415275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).