N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride

C9H9ClFNO — CID 79886378

IUPACN-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
SMILESCN(Cc1ccccc1F)C(=O)Cl
InChIInChI=1S/C9H9ClFNO/c1-12(9(10)13)6-7-4-2-3-5-8(7)11/h2-5H,6H2,1H3
InChIKeyPNBRGIRWDGTLOZ-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.62
Rot. Bonds2

About N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride

N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride (PubChem CID 79886378) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
PubChem CID79886378
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
SMILESCN(Cc1ccccc1F)C(=O)Cl
InChIInChI=1S/C9H9ClFNO/c1-12(9(10)13)6-7-4-2-3-5-8(7)11/h2-5H,6H2,1H3
InChIKeyPNBRGIRWDGTLOZ-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
3-chloro-N-[(2-fluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 63678464
1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea
CID 115575226
2-[carboxymethyl-[(2-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid
CID 63645119
3,5-difluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78769060
N-[(2-fluorophenyl)methyl]-N-methyl-2,2-diphenylacetamide
CID 4803955
2-(4-chlorophenoxy)-N-[(2-fluorophenyl)methyl]-N,2-dimethylpropanamide
CID 52892039
2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide
CID 43649648
(Z)-4-[(2-fluorophenyl)methyl-methylamino]-2-hydroxy-4-oxobut-2-enoic acid
CID 54689315
2-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78768857
N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63048529

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride (CID 79886378) is N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride is CN(Cc1ccccc1F)C(=O)Cl.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride?
The InChIKey is PNBRGIRWDGTLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c1-12(9(10)13)6-7-4-2-3-5-8(7)11/h2-5H,6H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride?
N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride has a molecular weight of 201.63 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride is sourced from PubChem (CID 79886378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).