N-[(4-ethylphenyl)methyl]-N-methylcarbamoyl bromide

C11H14BrNO — CID 115193695

IUPACN-[(4-ethylphenyl)methyl]-N-methylcarbamoyl bromide
SMILESCCc1ccc(CN(C)C(=O)Br)cc1
InChIInChI=1S/C11H14BrNO/c1-3-9-4-6-10(7-5-9)8-13(2)11(12)14/h4-7H,3,8H2,1-2H3
InChIKeyJZVYTPUIBDDPGA-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.20
Rot. Bonds3

About N-[(4-ethylphenyl)methyl]-N-methylcarbamoyl bromide

N-[(4-ethylphenyl)methyl]-N-methylcarbamoyl bromide (PubChem CID 115193695) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-N-methylcarbamoyl bromide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-N-methylcarbamoyl bromide
PubChem CID115193695
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC NameN-[(4-ethylphenyl)methyl]-N-methylcarbamoyl bromide
SMILESCCc1ccc(CN(C)C(=O)Br)cc1
InChIInChI=1S/C11H14BrNO/c1-3-9-4-6-10(7-5-9)8-13(2)11(12)14/h4-7H,3,8H2,1-2H3
InChIKeyJZVYTPUIBDDPGA-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.20
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-ethylphenyl)methyl]-N-methylpropanamide
CID 60630863
N-methyl-N-[(4-methylsulfanylphenyl)methyl]carbamoyl bromide
CID 115193789
N-[(4-ethylphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82126542
N-[(4-ethylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62735212
3-amino-1-[(4-ethylphenyl)methyl]-1-methylurea
CID 115192722
4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630849
N-[(4-ethylphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630877
N-[[4-[[acetyl(methyl)amino]methyl]phenyl]methyl]-N-methylacetamide
CID 20593123
5-bromo-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630930
3-bromo-N-[(4-ethylphenyl)methyl]-N,4-dimethylbenzamide
CID 81458308
3-[(4-ethylphenyl)methyl-methylamino]-2-(methylamino)-3-oxopropanoic acid
CID 115189464
N-[(4-ethylphenyl)methyl]-2-(2-methoxyethoxy)-N-methylacetamide
CID 103601799

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-N-methylcarbamoyl bromide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-N-methylcarbamoyl bromide (CID 115193695) is N-[(4-ethylphenyl)methyl]-N-methylcarbamoyl bromide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-N-methylcarbamoyl bromide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-N-methylcarbamoyl bromide is CCc1ccc(CN(C)C(=O)Br)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-N-methylcarbamoyl bromide?
The InChIKey is JZVYTPUIBDDPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-3-9-4-6-10(7-5-9)8-13(2)11(12)14/h4-7H,3,8H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-N-methylcarbamoyl bromide?
N-[(4-ethylphenyl)methyl]-N-methylcarbamoyl bromide has a molecular weight of 256.14 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-N-methylcarbamoyl bromide is sourced from PubChem (CID 115193695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).