2-[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]phenyl]acetyl chloride

C19H13Cl2FN2O2 — CID 163780066

IUPAC2-[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]phenyl]acetyl chloride
SMILESO=C(Cl)Cc1ccc(-c2nccc(OCc3ccc(Cl)cc3F)n2)cc1
InChIInChI=1S/C19H13Cl2FN2O2/c20-15-6-5-14(16(22)10-15)11-26-18-7-8-23-19(24-18)13-3-1-12(2-4-13)9-17(21)25/h1-8,10H,9,11H2
InChIKeyMNVOGGQPYKSDHQ-UHFFFAOYSA-N
MW391.23 g/mol
LogP4.82
Rot. Bonds6

About 2-[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]phenyl]acetyl chloride

2-[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]phenyl]acetyl chloride (PubChem CID 163780066) has the molecular formula C19H13Cl2FN2O2 and a molecular weight of 391.23 g/mol. Its IUPAC name is 2-[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]phenyl]acetyl chloride.

Molecular Properties

Compound Name2-[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]phenyl]acetyl chloride
PubChem CID163780066
Molecular FormulaC19H13Cl2FN2O2
Molecular Weight391.23 g/mol
Exact Mass390.03
IUPAC Name2-[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]phenyl]acetyl chloride
SMILESO=C(Cl)Cc1ccc(-c2nccc(OCc3ccc(Cl)cc3F)n2)cc1
InChIInChI=1S/C19H13Cl2FN2O2/c20-15-6-5-14(16(22)10-15)11-26-18-7-8-23-19(24-18)13-3-1-12(2-4-13)9-17(21)25/h1-8,10H,9,11H2
InChIKeyMNVOGGQPYKSDHQ-UHFFFAOYSA-N
XLogP4.82
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.23
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]phenyl]acetyl chloride 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

4-[(4-chloro-2-fluorophenyl)methoxy]-2-(4-ethylcyclohexen-1-yl)pyrimidine
CID 175832455
2-[(4-chloro-2-fluorophenyl)methoxy]pyrazine
CID 176885300
2-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanethioamide
CID 114849176
2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide
CID 178143871
4-chloro-1-[(4-ethylphenoxy)methyl]-2-fluorobenzene
CID 114860237
2-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide
CID 114849592
4-chloro-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
CID 59384279
3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 114847654
4-[(3-chloro-4-fluorophenoxy)methyl]-3-fluorobenzoic acid
CID 63879027
[3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 114850107
[3-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]methanol
CID 114850200
tert-butyl 4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-fluoropiperidine-1-carboxylate
CID 151484896

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]phenyl]acetyl chloride?
The IUPAC name of 2-[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]phenyl]acetyl chloride (CID 163780066) is 2-[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]phenyl]acetyl chloride.
What is the SMILES notation for 2-[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]phenyl]acetyl chloride?
The canonical SMILES for 2-[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]phenyl]acetyl chloride is O=C(Cl)Cc1ccc(-c2nccc(OCc3ccc(Cl)cc3F)n2)cc1.
What is the InChIKey of 2-[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]phenyl]acetyl chloride?
The InChIKey is MNVOGGQPYKSDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2FN2O2/c20-15-6-5-14(16(22)10-15)11-26-18-7-8-23-19(24-18)13-3-1-12(2-4-13)9-17(21)25/h1-8,10H,9,11H2.
What are the key properties of 2-[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]phenyl]acetyl chloride?
2-[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]phenyl]acetyl chloride has a molecular weight of 391.23 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]phenyl]acetyl chloride is sourced from PubChem (CID 163780066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).