2-(2-chloro-6-fluorophenyl)-N-[4-(chloromethyl)phenyl]acetamide

C15H12Cl2FNO — CID 114299939

IUPAC2-(2-chloro-6-fluorophenyl)-N-[4-(chloromethyl)phenyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1ccc(CCl)cc1
InChIInChI=1S/C15H12Cl2FNO/c16-9-10-4-6-11(7-5-10)19-15(20)8-12-13(17)2-1-3-14(12)18/h1-7H,8-9H2,(H,19,20)
InChIKeyHDNIFOODPRAIKW-UHFFFAOYSA-N
MW312.17 g/mol
LogP4.40
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-N-[4-(chloromethyl)phenyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[4-(chloromethyl)phenyl]acetamide (PubChem CID 114299939) has the molecular formula C15H12Cl2FNO and a molecular weight of 312.17 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[4-(chloromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[4-(chloromethyl)phenyl]acetamide
PubChem CID114299939
Molecular FormulaC15H12Cl2FNO
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[4-(chloromethyl)phenyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1ccc(CCl)cc1
InChIInChI=1S/C15H12Cl2FNO/c16-9-10-4-6-11(7-5-10)19-15(20)8-12-13(17)2-1-3-14(12)18/h1-7H,8-9H2,(H,19,20)
InChIKeyHDNIFOODPRAIKW-UHFFFAOYSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)acetamide
CID 9413330
2-(2-chloro-6-fluorophenyl)-N-(4-hydroxyphenyl)acetamide
CID 28831544
2-(2-chloro-6-fluorophenyl)-N-(4-methylphenyl)acetamide
CID 2112014
2-(2-chloro-6-fluorophenyl)-N-[[4-(chloromethyl)phenyl]methyl]acetamide
CID 107233350
2-(2-chloro-6-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7962141
2-(2-chloro-6-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9165979
2-(2-chloro-6-fluorophenyl)-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 35332134
2-(2-chloro-6-fluorophenyl)-N-(4-phenoxyphenyl)acetamide
CID 7914940
N-(4-amino-3,5-dichlorophenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 24535666
N-[3-(bromomethyl)phenyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 114307357
2-(2-chloro-6-fluorophenyl)-N-[4-(1H-pyrazol-5-yl)phenyl]acetamide
CID 38779483
2-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]-N-methylacetamide
CID 134062889

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[4-(chloromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[4-(chloromethyl)phenyl]acetamide (CID 114299939) is 2-(2-chloro-6-fluorophenyl)-N-[4-(chloromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[4-(chloromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[4-(chloromethyl)phenyl]acetamide is O=C(Cc1c(F)cccc1Cl)Nc1ccc(CCl)cc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[4-(chloromethyl)phenyl]acetamide?
The InChIKey is HDNIFOODPRAIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNO/c16-9-10-4-6-11(7-5-10)19-15(20)8-12-13(17)2-1-3-14(12)18/h1-7H,8-9H2,(H,19,20).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[4-(chloromethyl)phenyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[4-(chloromethyl)phenyl]acetamide has a molecular weight of 312.17 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[4-(chloromethyl)phenyl]acetamide is sourced from PubChem (CID 114299939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).