[(1S)-1-(4-chlorophenyl)ethyl] carbamate

C9H10ClNO2 — CID 174363782

IUPAC[(1S)-1-(4-chlorophenyl)ethyl] carbamate
SMILESC[C@H](OC(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO2/c1-6(13-9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H2,11,12)/t6-/m0/s1
InChIKeyGKQAGMOHTBQWKN-LURJTMIESA-N
MW199.64 g/mol
LogP2.50
Rot. Bonds2

About [(1S)-1-(4-chlorophenyl)ethyl] carbamate

[(1S)-1-(4-chlorophenyl)ethyl] carbamate (PubChem CID 174363782) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is [(1S)-1-(4-chlorophenyl)ethyl] carbamate.

Molecular Properties

Compound Name[(1S)-1-(4-chlorophenyl)ethyl] carbamate
PubChem CID174363782
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name[(1S)-1-(4-chlorophenyl)ethyl] carbamate
SMILESC[C@H](OC(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO2/c1-6(13-9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H2,11,12)/t6-/m0/s1
InChIKeyGKQAGMOHTBQWKN-LURJTMIESA-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-(4-chlorophenyl)ethyl 3-aminobut-2-enoate
CID 71397056
[(1S)-1-(4-chlorophenyl)ethyl] N,N-di(propan-2-yl)carbamate
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[(1R)-1-(4-chlorophenyl)ethyl] butanoate
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[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl] carbamate
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1-chloro-4-(1-propan-2-yloxyethyl)benzene;ethane
CID 144923425
[(1R)-1-(4-chlorophenyl)ethyl] N-(4-methylphenyl)carbamate
CID 2485585
[(1S)-1-phenylethyl] (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8606825
[(1R)-1-(2-chlorophenyl)ethyl] carbamate
CID 89448731
1-(4-dodecoxyphenyl)ethyl carbamate
CID 67909765
[(1R)-1-(4-chlorophenyl)-2-methoxy-2-oxoethyl]azanium
CID 7067068
[1-(4-chlorophenyl)-2-methoxy-2-oxoethyl]azanium
CID 4656134
1-pyrimidin-5-ylethyl carbamate
CID 69192211

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-chlorophenyl)ethyl] carbamate?
The IUPAC name of [(1S)-1-(4-chlorophenyl)ethyl] carbamate (CID 174363782) is [(1S)-1-(4-chlorophenyl)ethyl] carbamate.
What is the SMILES notation for [(1S)-1-(4-chlorophenyl)ethyl] carbamate?
The canonical SMILES for [(1S)-1-(4-chlorophenyl)ethyl] carbamate is C[C@H](OC(N)=O)c1ccc(Cl)cc1.
What is the InChIKey of [(1S)-1-(4-chlorophenyl)ethyl] carbamate?
The InChIKey is GKQAGMOHTBQWKN-LURJTMIESA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-6(13-9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H2,11,12)/t6-/m0/s1.
What are the key properties of [(1S)-1-(4-chlorophenyl)ethyl] carbamate?
[(1S)-1-(4-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 [(1S)-1-(4-chlorophenyl)ethyl] carbamate is sourced from PubChem (CID 174363782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).