2-(2-chlorophenyl)propan-2-yl carbamate

C10H12ClNO2 — CID 70385121

IUPAC2-(2-chlorophenyl)propan-2-yl carbamate
SMILESCC(C)(OC(N)=O)c1ccccc1Cl
InChIInChI=1S/C10H12ClNO2/c1-10(2,14-9(12)13)7-5-3-4-6-8(7)11/h3-6H,1-2H3,(H2,12,13)
InChIKeyAURSWOJIWWGCSI-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.67
Rot. Bonds2

About 2-(2-chlorophenyl)propan-2-yl carbamate

2-(2-chlorophenyl)propan-2-yl carbamate (PubChem CID 70385121) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-(2-chlorophenyl)propan-2-yl carbamate.

Molecular Properties

Compound Name2-(2-chlorophenyl)propan-2-yl carbamate
PubChem CID70385121
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name2-(2-chlorophenyl)propan-2-yl carbamate
SMILESCC(C)(OC(N)=O)c1ccccc1Cl
InChIInChI=1S/C10H12ClNO2/c1-10(2,14-9(12)13)7-5-3-4-6-8(7)11/h3-6H,1-2H3,(H2,12,13)
InChIKeyAURSWOJIWWGCSI-UHFFFAOYSA-N
XLogP2.67
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)propan-2-yl carbamate?
The IUPAC name of 2-(2-chlorophenyl)propan-2-yl carbamate (CID 70385121) is 2-(2-chlorophenyl)propan-2-yl carbamate.
What is the SMILES notation for 2-(2-chlorophenyl)propan-2-yl carbamate?
The canonical SMILES for 2-(2-chlorophenyl)propan-2-yl carbamate is CC(C)(OC(N)=O)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)propan-2-yl carbamate?
The InChIKey is AURSWOJIWWGCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-10(2,14-9(12)13)7-5-3-4-6-8(7)11/h3-6H,1-2H3,(H2,12,13).
What are the key properties of 2-(2-chlorophenyl)propan-2-yl carbamate?
2-(2-chlorophenyl)propan-2-yl carbamate has a molecular weight of 213.66 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)propan-2-yl carbamate is sourced from PubChem (CID 70385121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).