[(2S)-butan-2-yl] N-(4-chlorophenyl)carbamate

C11H14ClNO2 — CID 124748954

IUPAC[(2S)-butan-2-yl] N-(4-chlorophenyl)carbamate
SMILESCC[C@H](C)OC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c1-3-8(2)15-11(14)13-10-6-4-9(12)5-7-10/h4-8H,3H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyHXWWSPWVSCAGKY-QMMMGPOBSA-N
MW227.69 g/mol
LogP3.69
Rot. Bonds3

About [(2S)-butan-2-yl] N-(4-chlorophenyl)carbamate

[(2S)-butan-2-yl] N-(4-chlorophenyl)carbamate (PubChem CID 124748954) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is [(2S)-butan-2-yl] N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name[(2S)-butan-2-yl] N-(4-chlorophenyl)carbamate
PubChem CID124748954
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name[(2S)-butan-2-yl] N-(4-chlorophenyl)carbamate
SMILESCC[C@H](C)OC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c1-3-8(2)15-11(14)13-10-6-4-9(12)5-7-10/h4-8H,3H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyHXWWSPWVSCAGKY-QMMMGPOBSA-N
XLogP3.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-butan-2-yl] N-(4-bromophenyl)carbamate
CID 124750280
propan-2-yl N-(4-chlorophenyl)carbamate
CID 16712
(2S)-2-[(4-chlorophenyl)carbamoyloxy]propanoic acid
CID 11042957
2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
CID 119671236
[(1R)-1-(4-chlorophenyl)ethyl] N-(4-methylphenyl)carbamate
CID 2485585
1-[(3-methylphenoxy)carbonylamino]propan-2-yl N-(4-chlorophenyl)carbamate
CID 3254152
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
6-[(4-chlorophenyl)carbamoyloxy]hexyl 2-methylbutanoate
CID 59366004
butan-2-yl N-[6-(2-hydroxyethyl)-3-pyridinyl]carbamate
CID 160970410
2-[[4-[[4-(butan-2-yloxycarbonylamino)phenyl]methyl]phenyl]carbamoyloxy]propyl 2-methylprop-2-enoate
CID 142512779
ethyl N-[4-[[1-(4-chloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 60542440
2-(propan-2-yloxycarbonylamino)ethyl N-(4-chlorophenyl)carbamate
CID 3115307

Frequently Asked Questions

What is the IUPAC name of [(2S)-butan-2-yl] N-(4-chlorophenyl)carbamate?
The IUPAC name of [(2S)-butan-2-yl] N-(4-chlorophenyl)carbamate (CID 124748954) is [(2S)-butan-2-yl] N-(4-chlorophenyl)carbamate.
What is the SMILES notation for [(2S)-butan-2-yl] N-(4-chlorophenyl)carbamate?
The canonical SMILES for [(2S)-butan-2-yl] N-(4-chlorophenyl)carbamate is CC[C@H](C)OC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of [(2S)-butan-2-yl] N-(4-chlorophenyl)carbamate?
The InChIKey is HXWWSPWVSCAGKY-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-3-8(2)15-11(14)13-10-6-4-9(12)5-7-10/h4-8H,3H2,1-2H3,(H,13,14)/t8-/m0/s1.
What are the key properties of [(2S)-butan-2-yl] N-(4-chlorophenyl)carbamate?
[(2S)-butan-2-yl] N-(4-chlorophenyl)carbamate has a molecular weight of 227.69 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-butan-2-yl] N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 124748954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).