2-(3-bromophenyl)propan-2-ylcarbamic acid

C10H12BrNO2 — CID 68549708

IUPAC2-(3-bromophenyl)propan-2-ylcarbamic acid
SMILESCC(C)(NC(=O)O)c1cccc(Br)c1
InChIInChI=1S/C10H12BrNO2/c1-10(2,12-9(13)14)7-4-3-5-8(11)6-7/h3-6,12H,1-2H3,(H,13,14)
InChIKeyYFKOFHQDFSEYKA-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.95
Rot. Bonds2

About 2-(3-bromophenyl)propan-2-ylcarbamic acid

2-(3-bromophenyl)propan-2-ylcarbamic acid (PubChem CID 68549708) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 2-(3-bromophenyl)propan-2-ylcarbamic acid.

Molecular Properties

Compound Name2-(3-bromophenyl)propan-2-ylcarbamic acid
PubChem CID68549708
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name2-(3-bromophenyl)propan-2-ylcarbamic acid
SMILESCC(C)(NC(=O)O)c1cccc(Br)c1
InChIInChI=1S/C10H12BrNO2/c1-10(2,12-9(13)14)7-4-3-5-8(11)6-7/h3-6,12H,1-2H3,(H,13,14)
InChIKeyYFKOFHQDFSEYKA-UHFFFAOYSA-N
XLogP2.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenylpropan-2-ylcarbamic acid
CID 23445609
benzyl N-[2-(3-bromophenyl)propan-2-yl]carbamate
CID 58641875
N-[2-(3-bromophenyl)propan-2-yl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 136982614
2-(3-bromoanilino)-2-(3-bromophenyl)propanoic acid
CID 60993850
2-(3-bromophenyl)-2-(2-methylanilino)propanoic acid
CID 60992588
azane;1-bromo-3-(trifluoromethyl)benzene;carbonic acid
CID 175115422
2-(3-bromophenyl)-2,2-difluoroacetic acid
CID 28740330
2-[[2-(3-bromophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 119225762
2-(3-bromophenyl)-2,3-dimethylbutanoyl chloride
CID 117048084
2-[3-[2-[amino(ethoxycarbonyl)amino]propan-2-yl]phenyl]propan-2-ylcarbamic acid
CID 172570692
2-(3-bromophenyl)-2-(3-fluoro-5-methylanilino)propanoic acid
CID 79044474
2-[3-(2,3-dimethylbutan-2-yl)phenyl]propan-2-ylcarbamic acid;4-methylpentan-2-ol;2-methylpropane
CID 143233847

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)propan-2-ylcarbamic acid?
The IUPAC name of 2-(3-bromophenyl)propan-2-ylcarbamic acid (CID 68549708) is 2-(3-bromophenyl)propan-2-ylcarbamic acid.
What is the SMILES notation for 2-(3-bromophenyl)propan-2-ylcarbamic acid?
The canonical SMILES for 2-(3-bromophenyl)propan-2-ylcarbamic acid is CC(C)(NC(=O)O)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)propan-2-ylcarbamic acid?
The InChIKey is YFKOFHQDFSEYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-10(2,12-9(13)14)7-4-3-5-8(11)6-7/h3-6,12H,1-2H3,(H,13,14).
What are the key properties of 2-(3-bromophenyl)propan-2-ylcarbamic acid?
2-(3-bromophenyl)propan-2-ylcarbamic acid has a molecular weight of 258.11 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)propan-2-ylcarbamic acid is sourced from PubChem (CID 68549708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).