N-[2-(2-chloroacetyl)-4-fluorophenyl]-N-methylformamide

C10H9ClFNO2 — CID 23128095

IUPACN-[2-(2-chloroacetyl)-4-fluorophenyl]-N-methylformamide
SMILESCN(C=O)c1ccc(F)cc1C(=O)CCl
InChIInChI=1S/C10H9ClFNO2/c1-13(6-14)9-3-2-7(12)4-8(9)10(15)5-11/h2-4,6H,5H2,1H3
InChIKeyBMOFZZRJCQOWMX-UHFFFAOYSA-N
MW229.64 g/mol
LogP1.84
Rot. Bonds4

About N-[2-(2-chloroacetyl)-4-fluorophenyl]-N-methylformamide

N-[2-(2-chloroacetyl)-4-fluorophenyl]-N-methylformamide (PubChem CID 23128095) has the molecular formula C10H9ClFNO2 and a molecular weight of 229.64 g/mol. Its IUPAC name is N-[2-(2-chloroacetyl)-4-fluorophenyl]-N-methylformamide.

Molecular Properties

Compound NameN-[2-(2-chloroacetyl)-4-fluorophenyl]-N-methylformamide
PubChem CID23128095
Molecular FormulaC10H9ClFNO2
Molecular Weight229.64 g/mol
Exact Mass229.03
IUPAC NameN-[2-(2-chloroacetyl)-4-fluorophenyl]-N-methylformamide
SMILESCN(C=O)c1ccc(F)cc1C(=O)CCl
InChIInChI=1S/C10H9ClFNO2/c1-13(6-14)9-3-2-7(12)4-8(9)10(15)5-11/h2-4,6H,5H2,1H3
InChIKeyBMOFZZRJCQOWMX-UHFFFAOYSA-N
XLogP1.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.64
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[2-(2-chloroacetyl)-4-fluorophenyl]-N-methylformamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-fluoro-2-(2-methylsulfonylacetyl)phenyl]-N-methylformamide
CID 86744742
1-(5-fluoro-2-hydroxyphenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone
CID 62029618
2-(2-carbamothioyl-4-fluoro-N-methylanilino)acetamide
CID 63672665
2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 931809
2-chloro-1-(5-fluoro-3-hydroxy-2-methoxyphenyl)ethanone
CID 171020272
1-(2-chloro-5-fluorophenyl)-3-(ethylamino)propan-1-one
CID 105396438
2-[ethyl(ethylsulfonyl)amino]-5-fluorobenzoic acid
CID 165485905
2-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 130981144
3-(2,5-difluorophenyl)-3-oxopropanal
CID 43114709
N-[4-(dimethylamino)butan-2-yl]-5-fluoro-2-hydroxybenzamide
CID 71975942
1-[2-[3-(dimethylamino)propyl-methylamino]-5-fluorophenyl]ethanone
CID 63694387
N-(4-chlorobutan-2-yl)-2,5-difluorobenzamide
CID 83188294

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroacetyl)-4-fluorophenyl]-N-methylformamide?
The IUPAC name of N-[2-(2-chloroacetyl)-4-fluorophenyl]-N-methylformamide (CID 23128095) is N-[2-(2-chloroacetyl)-4-fluorophenyl]-N-methylformamide.
What is the SMILES notation for N-[2-(2-chloroacetyl)-4-fluorophenyl]-N-methylformamide?
The canonical SMILES for N-[2-(2-chloroacetyl)-4-fluorophenyl]-N-methylformamide is CN(C=O)c1ccc(F)cc1C(=O)CCl.
What is the InChIKey of N-[2-(2-chloroacetyl)-4-fluorophenyl]-N-methylformamide?
The InChIKey is BMOFZZRJCQOWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO2/c1-13(6-14)9-3-2-7(12)4-8(9)10(15)5-11/h2-4,6H,5H2,1H3.
What are the key properties of N-[2-(2-chloroacetyl)-4-fluorophenyl]-N-methylformamide?
N-[2-(2-chloroacetyl)-4-fluorophenyl]-N-methylformamide has a molecular weight of 229.64 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroacetyl)-4-fluorophenyl]-N-methylformamide is sourced from PubChem (CID 23128095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).