N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide

C8H6BrCl2NO — CID 115193657

IUPACN-[(2,4-dichlorophenyl)methyl]carbamoyl bromide
SMILESO=C(Br)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H6BrCl2NO/c9-8(13)12-4-5-1-2-6(10)3-7(5)11/h1-3H,4H2,(H,12,13)
InChIKeyLSRVQCIVNZLYBP-UHFFFAOYSA-N
MW282.95 g/mol
LogP3.60
Rot. Bonds2

About N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide

N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide (PubChem CID 115193657) has the molecular formula C8H6BrCl2NO and a molecular weight of 282.95 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]carbamoyl bromide
PubChem CID115193657
Molecular FormulaC8H6BrCl2NO
Molecular Weight282.95 g/mol
Exact Mass280.90
IUPAC NameN-[(2,4-dichlorophenyl)methyl]carbamoyl bromide
SMILESO=C(Br)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H6BrCl2NO/c9-8(13)12-4-5-1-2-6(10)3-7(5)11/h1-3H,4H2,(H,12,13)
InChIKeyLSRVQCIVNZLYBP-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.95
LogP ≤ 53.60
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

N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657
N-[(5-chloro-2-methoxyphenyl)methyl]carbamoyl bromide
CID 115193549
N-[(2,4-dichlorophenyl)methyl]-2,4,5-trimethylbenzamide
CID 100708024
2-[(2,4-dichlorophenyl)methylamino]-N-ethylacetamide
CID 43399947
(2,4-dichlorophenyl)methylthiourea;hydrochloride
CID 46736571
N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]carbamoyl bromide
CID 115193690
N-[2-[(2,4-dichlorophenyl)methylamino]ethyl]acetamide
CID 28684550
3-amino-N-[(2,4-dichlorophenyl)methyl]butanamide
CID 115154234
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 26217336
N-[(4-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)acetamide
CID 1226021
2-[(2,4-dichlorophenyl)methylcarbamoyl]cyclohexene-1-carboxylic acid
CID 134117071
1-[(2,4-dichlorophenyl)methyl]-3-(2-fluorophenyl)urea
CID 47103647

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide (CID 115193657) is N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide is O=C(Br)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide?
The InChIKey is LSRVQCIVNZLYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrCl2NO/c9-8(13)12-4-5-1-2-6(10)3-7(5)11/h1-3H,4H2,(H,12,13).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide?
N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide has a molecular weight of 282.95 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide is sourced from PubChem (CID 115193657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).