N-(4-tert-butylphenyl)-N-methylcarbamoyl bromide

C12H16BrNO — CID 115193365

IUPACN-(4-tert-butylphenyl)-N-methylcarbamoyl bromide
SMILESCN(C(=O)Br)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C12H16BrNO/c1-12(2,3)9-5-7-10(8-6-9)14(4)11(13)15/h5-8H,1-4H3
InChIKeyIRUIOPFRIRALKU-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.94
Rot. Bonds1

About N-(4-tert-butylphenyl)-N-methylcarbamoyl bromide

N-(4-tert-butylphenyl)-N-methylcarbamoyl bromide (PubChem CID 115193365) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-methylcarbamoyl bromide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-methylcarbamoyl bromide
PubChem CID115193365
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC NameN-(4-tert-butylphenyl)-N-methylcarbamoyl bromide
SMILESCN(C(=O)Br)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C12H16BrNO/c1-12(2,3)9-5-7-10(8-6-9)14(4)11(13)15/h5-8H,1-4H3
InChIKeyIRUIOPFRIRALKU-UHFFFAOYSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.94
H-Bond Donors ≤ 50
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

N-(4-tert-butylphenyl)-N-methylcyclopropanecarboxamide
CID 69029843
2-acetamido-N-(4-tert-butylphenyl)-N-methylpropanamide
CID 86821523
N-(3-tert-butyl-4-methoxyphenyl)-N-methylcarbamoyl bromide
CID 115193388
N-(4-tert-butylphenyl)-4-hydroxy-N-methylbutanamide
CID 115162843
methyl 3-(4-tert-butyl-N-methylanilino)-3-oxopropanoate
CID 115174195
2-amino-N-(4-tert-butylphenyl)-3-hydroxy-N-methylpropanamide
CID 115179679
N-(5-tert-butyl-2-methoxyphenyl)-N-methylcarbamoyl bromide
CID 115193389
1-amino-N-(4-tert-butylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119302215
1-(4-tert-butylphenyl)-1-methylguanidine
CID 139724615
N-(4-tert-butylphenyl)-2-(cyclopropylmethylamino)-N-methylacetamide
CID 119746815
methyl-[4-(trifluoromethyl)phenyl]carbamic acid
CID 54260410
4-amino-N-(4-tert-butylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride
CID 120590068

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-methylcarbamoyl bromide?
The IUPAC name of N-(4-tert-butylphenyl)-N-methylcarbamoyl bromide (CID 115193365) is N-(4-tert-butylphenyl)-N-methylcarbamoyl bromide.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-methylcarbamoyl bromide?
The canonical SMILES for N-(4-tert-butylphenyl)-N-methylcarbamoyl bromide is CN(C(=O)Br)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-methylcarbamoyl bromide?
The InChIKey is IRUIOPFRIRALKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-12(2,3)9-5-7-10(8-6-9)14(4)11(13)15/h5-8H,1-4H3.
What are the key properties of N-(4-tert-butylphenyl)-N-methylcarbamoyl bromide?
N-(4-tert-butylphenyl)-N-methylcarbamoyl bromide has a molecular weight of 270.17 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-methylcarbamoyl bromide is sourced from PubChem (CID 115193365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).