propan-2-yl N-(3-chlorophenyl)carbamate

C10H12ClNO2 — CID 2728

IUPACpropan-2-yl N-(3-chlorophenyl)carbamate
SMILESCC(C)OC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO2/c1-7(2)14-10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13)
InChIKeyCWJSHJJYOPWUGX-UHFFFAOYSA-N
MW213.66 g/mol
LogP3.30
Rot. Bonds2

About propan-2-yl N-(3-chlorophenyl)carbamate

propan-2-yl N-(3-chlorophenyl)carbamate (PubChem CID 2728) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is propan-2-yl N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(3-chlorophenyl)carbamate
PubChem CID2728
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Namepropan-2-yl N-(3-chlorophenyl)carbamate
SMILESCC(C)OC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO2/c1-7(2)14-10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13)
InChIKeyCWJSHJJYOPWUGX-UHFFFAOYSA-N
XLogP3.30
TPSA38.33 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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(3-chlorophenyl)carbamate?
The IUPAC name of propan-2-yl N-(3-chlorophenyl)carbamate (CID 2728) is propan-2-yl N-(3-chlorophenyl)carbamate.
What is the SMILES notation for propan-2-yl N-(3-chlorophenyl)carbamate?
The canonical SMILES for propan-2-yl N-(3-chlorophenyl)carbamate is CC(C)OC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of propan-2-yl N-(3-chlorophenyl)carbamate?
The InChIKey is CWJSHJJYOPWUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-7(2)14-10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13).
What are the key properties of propan-2-yl N-(3-chlorophenyl)carbamate?
propan-2-yl N-(3-chlorophenyl)carbamate has a molecular weight of 213.66 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 2728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).