N-[2-(3-fluorophenyl)-2-methylpropyl]carbamoyl bromide

C11H13BrFNO — CID 115194299

IUPACN-[2-(3-fluorophenyl)-2-methylpropyl]carbamoyl bromide
SMILESCC(C)(CNC(=O)Br)c1cccc(F)c1
InChIInChI=1S/C11H13BrFNO/c1-11(2,7-14-10(12)15)8-4-3-5-9(13)6-8/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyAGCMDINQSZMQFE-UHFFFAOYSA-N
MW274.13 g/mol
LogP3.21
Rot. Bonds3

About N-[2-(3-fluorophenyl)-2-methylpropyl]carbamoyl bromide

N-[2-(3-fluorophenyl)-2-methylpropyl]carbamoyl bromide (PubChem CID 115194299) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-methylpropyl]carbamoyl bromide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-methylpropyl]carbamoyl bromide
PubChem CID115194299
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC NameN-[2-(3-fluorophenyl)-2-methylpropyl]carbamoyl bromide
SMILESCC(C)(CNC(=O)Br)c1cccc(F)c1
InChIInChI=1S/C11H13BrFNO/c1-11(2,7-14-10(12)15)8-4-3-5-9(13)6-8/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyAGCMDINQSZMQFE-UHFFFAOYSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

[2-(3-fluorophenyl)-2-methylpropyl]urea
CID 115168840
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-hydroxy-2-methylpropanamide
CID 115179051
N-[2-methyl-2-(3-methylphenyl)propyl]carbamoyl bromide
CID 115194297
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-(methylamino)acetamide
CID 115152192
3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]butanamide
CID 115154464
N-[2-(3-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide
CID 115159147
2-(4-aminophenyl)-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide
CID 119796104
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide
CID 115186794
7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide
CID 119796098
(2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylpentanamide;hydrochloride
CID 119796151
2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-methoxypropanamide
CID 120990280
2-amino-2-(2-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide
CID 166261259

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-methylpropyl]carbamoyl bromide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-methylpropyl]carbamoyl bromide (CID 115194299) is N-[2-(3-fluorophenyl)-2-methylpropyl]carbamoyl bromide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-methylpropyl]carbamoyl bromide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-methylpropyl]carbamoyl bromide is CC(C)(CNC(=O)Br)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-methylpropyl]carbamoyl bromide?
The InChIKey is AGCMDINQSZMQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c1-11(2,7-14-10(12)15)8-4-3-5-9(13)6-8/h3-6H,7H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(3-fluorophenyl)-2-methylpropyl]carbamoyl bromide?
N-[2-(3-fluorophenyl)-2-methylpropyl]carbamoyl bromide has a molecular weight of 274.13 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-methylpropyl]carbamoyl bromide is sourced from PubChem (CID 115194299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).