N-[(Z)-[2-bromo-1-(2,4-difluorophenyl)ethylidene]amino]acetamide

C10H9BrF2N2O — CID 172958916

IUPACN-[(Z)-[2-bromo-1-(2,4-difluorophenyl)ethylidene]amino]acetamide
SMILESCC(=O)N/N=C(\CBr)c1ccc(F)cc1F
InChIInChI=1S/C10H9BrF2N2O/c1-6(16)14-15-10(5-11)8-3-2-7(12)4-9(8)13/h2-4H,5H2,1H3,(H,14,16)/b15-10+
InChIKeyVTUKUSKPUYXACV-XNTDXEJSSA-N
MW291.10 g/mol
LogP2.20
Rot. Bonds3

About N-[(Z)-[2-bromo-1-(2,4-difluorophenyl)ethylidene]amino]acetamide

N-[(Z)-[2-bromo-1-(2,4-difluorophenyl)ethylidene]amino]acetamide (PubChem CID 172958916) has the molecular formula C10H9BrF2N2O and a molecular weight of 291.10 g/mol. Its IUPAC name is N-[(Z)-[2-bromo-1-(2,4-difluorophenyl)ethylidene]amino]acetamide.

Molecular Properties

Compound NameN-[(Z)-[2-bromo-1-(2,4-difluorophenyl)ethylidene]amino]acetamide
PubChem CID172958916
Molecular FormulaC10H9BrF2N2O
Molecular Weight291.10 g/mol
Exact Mass289.99
IUPAC NameN-[(Z)-[2-bromo-1-(2,4-difluorophenyl)ethylidene]amino]acetamide
SMILESCC(=O)N/N=C(\CBr)c1ccc(F)cc1F
InChIInChI=1S/C10H9BrF2N2O/c1-6(16)14-15-10(5-11)8-3-2-7(12)4-9(8)13/h2-4H,5H2,1H3,(H,14,16)/b15-10+
InChIKeyVTUKUSKPUYXACV-XNTDXEJSSA-N
XLogP2.20
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.10
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-(2,4-difluorophenyl)ethanone
CID 2774185
N-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8884138
(1Z)-1-(2,4-difluorophenyl)-1-hydroxyiminopropan-2-one
CID 86591919
2,4-difluorobenzoyl bromide
CID 87349807
N-(1-bromo-2-methylpropan-2-yl)-2,4-difluorobenzamide
CID 114308135
2,3-dibromo-1-(2,4-difluorophenyl)propan-1-one
CID 130136876
N-(2,6-diethylphenyl)-2,4-difluorobenzamide
CID 2495338
(2S)-2-bromo-1-(2,4-difluorophenyl)propan-1-one
CID 9106630
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 6022107
2,4-difluoro-N-(2-methylprop-2-enyl)benzamide
CID 114618824
N'-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 9352980
N-(5-acetamido-2-ethylphenyl)-2,4-difluorobenzamide
CID 108797375

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-bromo-1-(2,4-difluorophenyl)ethylidene]amino]acetamide?
The IUPAC name of N-[(Z)-[2-bromo-1-(2,4-difluorophenyl)ethylidene]amino]acetamide (CID 172958916) is N-[(Z)-[2-bromo-1-(2,4-difluorophenyl)ethylidene]amino]acetamide.
What is the SMILES notation for N-[(Z)-[2-bromo-1-(2,4-difluorophenyl)ethylidene]amino]acetamide?
The canonical SMILES for N-[(Z)-[2-bromo-1-(2,4-difluorophenyl)ethylidene]amino]acetamide is CC(=O)N/N=C(\CBr)c1ccc(F)cc1F.
What is the InChIKey of N-[(Z)-[2-bromo-1-(2,4-difluorophenyl)ethylidene]amino]acetamide?
The InChIKey is VTUKUSKPUYXACV-XNTDXEJSSA-N. The full InChI is InChI=1S/C10H9BrF2N2O/c1-6(16)14-15-10(5-11)8-3-2-7(12)4-9(8)13/h2-4H,5H2,1H3,(H,14,16)/b15-10+.
What are the key properties of N-[(Z)-[2-bromo-1-(2,4-difluorophenyl)ethylidene]amino]acetamide?
N-[(Z)-[2-bromo-1-(2,4-difluorophenyl)ethylidene]amino]acetamide has a molecular weight of 291.10 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-bromo-1-(2,4-difluorophenyl)ethylidene]amino]acetamide is sourced from PubChem (CID 172958916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).