N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride

C10H11ClFNO2 — CID 115194745

IUPACN-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride
SMILESCOc1ccc(F)cc1CN(C)C(=O)Cl
InChIInChI=1S/C10H11ClFNO2/c1-13(10(11)14)6-7-5-8(12)3-4-9(7)15-2/h3-5H,6H2,1-2H3
InChIKeyNRFVKNOKSLBPDE-UHFFFAOYSA-N
MW231.65 g/mol
LogP2.62
Rot. Bonds3

About N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride

N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride (PubChem CID 115194745) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride.

Molecular Properties

Compound NameN-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride
PubChem CID115194745
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC NameN-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride
SMILESCOc1ccc(F)cc1CN(C)C(=O)Cl
InChIInChI=1S/C10H11ClFNO2/c1-13(10(11)14)6-7-5-8(12)3-4-9(7)15-2/h3-5H,6H2,1-2H3
InChIKeyNRFVKNOKSLBPDE-UHFFFAOYSA-N
XLogP2.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-fluoro-2-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128249
N-[(2,5-dimethoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194742
3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94687738
3-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 60988210
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194800
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194766
methyl 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate
CID 115128471
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 62637971
3-(2-chloro-4-fluorophenoxy)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 55772529
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]ethanethiol
CID 115224056
5-fluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 79882419
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]acetaldehyde
CID 115223032

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride?
The IUPAC name of N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride (CID 115194745) is N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride.
What is the SMILES notation for N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride?
The canonical SMILES for N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride is COc1ccc(F)cc1CN(C)C(=O)Cl.
What is the InChIKey of N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride?
The InChIKey is NRFVKNOKSLBPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2/c1-13(10(11)14)6-7-5-8(12)3-4-9(7)15-2/h3-5H,6H2,1-2H3.
What are the key properties of N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride?
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride has a molecular weight of 231.65 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride is sourced from PubChem (CID 115194745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).