1-(2-chlorophenyl)propan-2-yl carbamate

C10H12ClNO2 — CID 12839

IUPAC1-(2-chlorophenyl)propan-2-yl carbamate
SMILESCC(Cc1ccccc1Cl)OC(N)=O
InChIInChI=1S/C10H12ClNO2/c1-7(14-10(12)13)6-8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3,(H2,12,13)
InChIKeyJHZISMYMEAAHJP-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.37
Rot. Bonds3

About 1-(2-chlorophenyl)propan-2-yl carbamate

1-(2-chlorophenyl)propan-2-yl carbamate (PubChem CID 12839) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 1-(2-chlorophenyl)propan-2-yl carbamate.

Molecular Properties

Compound Name1-(2-chlorophenyl)propan-2-yl carbamate
PubChem CID12839
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name1-(2-chlorophenyl)propan-2-yl carbamate
SMILESCC(Cc1ccccc1Cl)OC(N)=O
InChIInChI=1S/C10H12ClNO2/c1-7(14-10(12)13)6-8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3,(H2,12,13)
InChIKeyJHZISMYMEAAHJP-UHFFFAOYSA-N
XLogP2.37
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Carisbamate
CID 6918474
Betaquil
CID 12825
Benzeneethanol, 4-chloro-alpha-methyl-, 1-carbamate
CID 12843
1-(2-Chlorophenyl)propyl hydrogen carbonimidate
CID 15534
Carbamic acid, 2,4-dichloro-alpha-methylphenethyl ester
CID 25013
Carbamic acid, alpha-(chloromethyl)phenethyl ester
CID 43379
Jbpos-0101
CID 57524523
Carbamic acid, 3-(o-chlorophenyl)-2,2-dichloro-3-hydroxypropyl ester
CID 19109
Carbamic acid, 3-(o-chlorophenyl)propyl ester
CID 49096
(R)-Carisbamate
CID 9942577
2-(2-Chlorophenyl)ethyl acetate
CID 346173
[(E)-3-(2-chlorophenyl)prop-2-enyl] carbamate
CID 134857559

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)propan-2-yl carbamate?
The IUPAC name of 1-(2-chlorophenyl)propan-2-yl carbamate (CID 12839) is 1-(2-chlorophenyl)propan-2-yl carbamate.
What is the SMILES notation for 1-(2-chlorophenyl)propan-2-yl carbamate?
The canonical SMILES for 1-(2-chlorophenyl)propan-2-yl carbamate is CC(Cc1ccccc1Cl)OC(N)=O.
What is the InChIKey of 1-(2-chlorophenyl)propan-2-yl carbamate?
The InChIKey is JHZISMYMEAAHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-7(14-10(12)13)6-8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3,(H2,12,13).
What are the key properties of 1-(2-chlorophenyl)propan-2-yl carbamate?
1-(2-chlorophenyl)propan-2-yl carbamate has a molecular weight of 213.66 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)propan-2-yl carbamate is sourced from PubChem (CID 12839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).