[(1R)-1-(4-chlorophenyl)ethyl] N-(4-methylphenyl)carbamate

C16H16ClNO2 — CID 2485585

IUPAC[(1R)-1-(4-chlorophenyl)ethyl] N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)O[C@H](C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO2/c1-11-3-9-15(10-4-11)18-16(19)20-12(2)13-5-7-14(17)8-6-13/h3-10,12H,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyQTSCPJSFDFGYMM-GFCCVEGCSA-N
MW289.76 g/mol
LogP4.96
Rot. Bonds3

About [(1R)-1-(4-chlorophenyl)ethyl] N-(4-methylphenyl)carbamate

[(1R)-1-(4-chlorophenyl)ethyl] N-(4-methylphenyl)carbamate (PubChem CID 2485585) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is [(1R)-1-(4-chlorophenyl)ethyl] N-(4-methylphenyl)carbamate.

Molecular Properties

Compound Name[(1R)-1-(4-chlorophenyl)ethyl] N-(4-methylphenyl)carbamate
PubChem CID2485585
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name[(1R)-1-(4-chlorophenyl)ethyl] N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)O[C@H](C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO2/c1-11-3-9-15(10-4-11)18-16(19)20-12(2)13-5-7-14(17)8-6-13/h3-10,12H,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyQTSCPJSFDFGYMM-GFCCVEGCSA-N
XLogP4.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

propan-2-yl N-(4-chlorophenyl)carbamate
CID 16712
(2S)-2-[(4-chlorophenyl)carbamoyloxy]propanoic acid
CID 11042957
[(2S)-butan-2-yl] N-(4-chlorophenyl)carbamate
CID 124748954
[(1S)-1-(4-fluorophenyl)ethyl] N-phenylcarbamate
CID 174582664
[(1S)-1-(4-chlorophenyl)ethyl] carbamate
CID 174363782
2-(4-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 4943921
N-(4-chlorophenyl)-3-methyl-2,4-bis(4-methylphenyl)-4-oxobutanamide
CID 10740078
1-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 841933
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(4-chlorobenzoyl)amino]benzoate
CID 1217838
1-[(3-methylphenoxy)carbonylamino]propan-2-yl N-(4-chlorophenyl)carbamate
CID 3254152
1-[4-(1-aminoethyl)phenyl]-3-(4-chlorophenyl)urea
CID 61342206
[(1S)-1-(4-chlorophenyl)ethyl] N,N-di(propan-2-yl)carbamate
CID 46909844

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-chlorophenyl)ethyl] N-(4-methylphenyl)carbamate?
The IUPAC name of [(1R)-1-(4-chlorophenyl)ethyl] N-(4-methylphenyl)carbamate (CID 2485585) is [(1R)-1-(4-chlorophenyl)ethyl] N-(4-methylphenyl)carbamate.
What is the SMILES notation for [(1R)-1-(4-chlorophenyl)ethyl] N-(4-methylphenyl)carbamate?
The canonical SMILES for [(1R)-1-(4-chlorophenyl)ethyl] N-(4-methylphenyl)carbamate is Cc1ccc(NC(=O)O[C@H](C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of [(1R)-1-(4-chlorophenyl)ethyl] N-(4-methylphenyl)carbamate?
The InChIKey is QTSCPJSFDFGYMM-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-11-3-9-15(10-4-11)18-16(19)20-12(2)13-5-7-14(17)8-6-13/h3-10,12H,1-2H3,(H,18,19)/t12-/m1/s1.
What are the key properties of [(1R)-1-(4-chlorophenyl)ethyl] N-(4-methylphenyl)carbamate?
[(1R)-1-(4-chlorophenyl)ethyl] N-(4-methylphenyl)carbamate has a molecular weight of 289.76 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-chlorophenyl)ethyl] N-(4-methylphenyl)carbamate is sourced from PubChem (CID 2485585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).