2-(4-chlorophenyl)ethyl carbamate

C9H10ClNO2 — CID 90103604

IUPAC2-(4-chlorophenyl)ethyl carbamate
SMILESNC(=O)OCCc1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO2/c10-8-3-1-7(2-4-8)5-6-13-9(11)12/h1-4H,5-6H2,(H2,11,12)
InChIKeyPFAVQLFNHSKCMI-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.98
Rot. Bonds3

About 2-(4-chlorophenyl)ethyl carbamate

2-(4-chlorophenyl)ethyl carbamate (PubChem CID 90103604) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 2-(4-chlorophenyl)ethyl carbamate.

Molecular Properties

Compound Name2-(4-chlorophenyl)ethyl carbamate
PubChem CID90103604
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name2-(4-chlorophenyl)ethyl carbamate
SMILESNC(=O)OCCc1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO2/c10-8-3-1-7(2-4-8)5-6-13-9(11)12/h1-4H,5-6H2,(H2,11,12)
InChIKeyPFAVQLFNHSKCMI-UHFFFAOYSA-N
XLogP1.98
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(hydroxymethyl)phenyl]ethyl carbamate
CID 67217532
2-(4-chlorophenyl)ethyl 2,2,3,3,3-pentafluoropropanoate
CID 91715952
2-(4-chlorophenyl)ethyl 3,3-dimethyl-2-oxobutanoate
CID 155660628
2-[4-[2-(4-chlorophenoxy)ethyl]phenyl]acetamide
CID 72937831
2-(4-chlorophenyl)ethyl 3,3-dimethyl-2-methylidenebutanoate
CID 155660625
2-(4-chlorophenyl)ethyl 4-(4-hydroxyphenyl)benzoate
CID 22287065
1-chloro-4-(2-chlorosulfonyloxyethyl)benzene
CID 88684759
3-(4-chlorophenyl)propanoic acid;guanidine
CID 69413371
6-(4-chlorophenyl)hexyl acetate
CID 139787467
2-(2,3-dihydro-1H-inden-5-yl)ethyl carbamate
CID 174986935
1-amino-1-[2-(4-chlorophenyl)ethyl]urea
CID 66954070
ethyl (2S)-4-(4-chlorophenyl)-2-hydroxybutanoate
CID 101370684

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)ethyl carbamate?
The IUPAC name of 2-(4-chlorophenyl)ethyl carbamate (CID 90103604) is 2-(4-chlorophenyl)ethyl carbamate.
What is the SMILES notation for 2-(4-chlorophenyl)ethyl carbamate?
The canonical SMILES for 2-(4-chlorophenyl)ethyl carbamate is NC(=O)OCCc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)ethyl carbamate?
The InChIKey is PFAVQLFNHSKCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c10-8-3-1-7(2-4-8)5-6-13-9(11)12/h1-4H,5-6H2,(H2,11,12).
What are the key properties of 2-(4-chlorophenyl)ethyl carbamate?
2-(4-chlorophenyl)ethyl carbamate has a molecular weight of 199.64 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)ethyl carbamate is sourced from PubChem (CID 90103604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).