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

C11H14BrNO2 — CID 124750280

IUPAC[(2S)-butan-2-yl] N-(4-bromophenyl)carbamate
SMILESCC[C@H](C)OC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO2/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
InChIKeyXNMXRHQVDYNHKD-QMMMGPOBSA-N
MW272.14 g/mol
LogP3.80
Rot. Bonds3

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

[(2S)-butan-2-yl] N-(4-bromophenyl)carbamate (PubChem CID 124750280) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is [(2S)-butan-2-yl] N-(4-bromophenyl)carbamate.

Molecular Properties

Compound Name[(2S)-butan-2-yl] N-(4-bromophenyl)carbamate
PubChem CID124750280
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name[(2S)-butan-2-yl] N-(4-bromophenyl)carbamate
SMILESCC[C@H](C)OC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO2/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
InChIKeyXNMXRHQVDYNHKD-QMMMGPOBSA-N
XLogP3.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-butan-2-yl] N-(4-chlorophenyl)carbamate
CID 124748954
methyl 2-[(4-bromophenyl)carbamoyloxy]-3-methylidenepentanoate
CID 14695646
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
CID 42313538
butan-2-yl N-(3-aminophenyl)carbamate
CID 60904542
butan-2-yl N-[6-(2-hydroxyethyl)-3-pyridinyl]carbamate
CID 160970410
2-bromo-N-(4-bromophenyl)butanamide
CID 25219718
2-[[4-[[4-(butan-2-yloxycarbonylamino)phenyl]methyl]phenyl]carbamoyloxy]propyl 2-methylprop-2-enoate
CID 142512779
2-[[(2S)-2-[(4-bromophenyl)carbamoyloxy]-4-methylpentanoyl]amino]acetic acid
CID 118096963
N-(4-bromophenyl)-2-(butan-2-ylamino)acetamide
CID 43179384
2-(4-bromophenyl)-3-butan-2-yloxy-3-oxopropanoic acid
CID 69337835
N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
4-bromo-N-(4-butan-2-ylphenyl)benzamide
CID 2842671

Frequently Asked Questions

What is the IUPAC name of [(2S)-butan-2-yl] N-(4-bromophenyl)carbamate?
The IUPAC name of [(2S)-butan-2-yl] N-(4-bromophenyl)carbamate (CID 124750280) is [(2S)-butan-2-yl] N-(4-bromophenyl)carbamate.
What is the SMILES notation for [(2S)-butan-2-yl] N-(4-bromophenyl)carbamate?
The canonical SMILES for [(2S)-butan-2-yl] N-(4-bromophenyl)carbamate is CC[C@H](C)OC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of [(2S)-butan-2-yl] N-(4-bromophenyl)carbamate?
The InChIKey is XNMXRHQVDYNHKD-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14BrNO2/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-bromophenyl)carbamate?
[(2S)-butan-2-yl] N-(4-bromophenyl)carbamate has a molecular weight of 272.14 g/mol, XLogP of 3.80, 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-bromophenyl)carbamate is sourced from PubChem (CID 124750280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).