(E)-3-bromo-N-[(2-chlorophenyl)methyl]-N-hydroxy-2-methylprop-2-enamide

C11H11BrClNO2 — CID 134116378

IUPAC(E)-3-bromo-N-[(2-chlorophenyl)methyl]-N-hydroxy-2-methylprop-2-enamide
SMILESC/C(=C\Br)C(=O)N(O)Cc1ccccc1Cl
InChIInChI=1S/C11H11BrClNO2/c1-8(6-12)11(15)14(16)7-9-4-2-3-5-10(9)13/h2-6,16H,7H2,1H3/b8-6+
InChIKeyLJVNVOGEPRVBSG-SOFGYWHQSA-N
MW304.57 g/mol
LogP3.36
Rot. Bonds3

About (E)-3-bromo-N-[(2-chlorophenyl)methyl]-N-hydroxy-2-methylprop-2-enamide

(E)-3-bromo-N-[(2-chlorophenyl)methyl]-N-hydroxy-2-methylprop-2-enamide (PubChem CID 134116378) has the molecular formula C11H11BrClNO2 and a molecular weight of 304.57 g/mol. Its IUPAC name is (E)-3-bromo-N-[(2-chlorophenyl)methyl]-N-hydroxy-2-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-bromo-N-[(2-chlorophenyl)methyl]-N-hydroxy-2-methylprop-2-enamide
PubChem CID134116378
Molecular FormulaC11H11BrClNO2
Molecular Weight304.57 g/mol
Exact Mass302.97
IUPAC Name(E)-3-bromo-N-[(2-chlorophenyl)methyl]-N-hydroxy-2-methylprop-2-enamide
SMILESC/C(=C\Br)C(=O)N(O)Cc1ccccc1Cl
InChIInChI=1S/C11H11BrClNO2/c1-8(6-12)11(15)14(16)7-9-4-2-3-5-10(9)13/h2-6,16H,7H2,1H3/b8-6+
InChIKeyLJVNVOGEPRVBSG-SOFGYWHQSA-N
XLogP3.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.57
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-bis[(2-chlorophenyl)methyl]hydroxylamine
CID 54059227
2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
CID 115462653
N-[(2-chlorophenyl)methyl]-N-hydroxy-2,2-dimethyl-3-phenoxypropanamide
CID 134104626
3-[(2-chlorophenyl)methyl-(2-methylprop-2-enyl)amino]propanoic acid
CID 82329777
N-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-2,2-dimethylpropanamide
CID 11639513
3-[(2-chlorophenyl)methyl-(3-methylbut-2-enoyl)amino]propanoic acid
CID 82326207
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
2-[(2-amino-2-oxoethyl)-[(2-chlorophenyl)methyl]amino]acetic acid
CID 107440102
N-[(2-chlorophenyl)methyl]-N-methylformamide
CID 64992323
4-[acetyl-[(2-chlorophenyl)methyl]amino]butanoic acid
CID 39369198
2-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 55328984
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139

Frequently Asked Questions

What is the IUPAC name of (E)-3-bromo-N-[(2-chlorophenyl)methyl]-N-hydroxy-2-methylprop-2-enamide?
The IUPAC name of (E)-3-bromo-N-[(2-chlorophenyl)methyl]-N-hydroxy-2-methylprop-2-enamide (CID 134116378) is (E)-3-bromo-N-[(2-chlorophenyl)methyl]-N-hydroxy-2-methylprop-2-enamide.
What is the SMILES notation for (E)-3-bromo-N-[(2-chlorophenyl)methyl]-N-hydroxy-2-methylprop-2-enamide?
The canonical SMILES for (E)-3-bromo-N-[(2-chlorophenyl)methyl]-N-hydroxy-2-methylprop-2-enamide is C/C(=C\Br)C(=O)N(O)Cc1ccccc1Cl.
What is the InChIKey of (E)-3-bromo-N-[(2-chlorophenyl)methyl]-N-hydroxy-2-methylprop-2-enamide?
The InChIKey is LJVNVOGEPRVBSG-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H11BrClNO2/c1-8(6-12)11(15)14(16)7-9-4-2-3-5-10(9)13/h2-6,16H,7H2,1H3/b8-6+.
What are the key properties of (E)-3-bromo-N-[(2-chlorophenyl)methyl]-N-hydroxy-2-methylprop-2-enamide?
(E)-3-bromo-N-[(2-chlorophenyl)methyl]-N-hydroxy-2-methylprop-2-enamide has a molecular weight of 304.57 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-bromo-N-[(2-chlorophenyl)methyl]-N-hydroxy-2-methylprop-2-enamide is sourced from PubChem (CID 134116378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).