chloromethyl N-(2-fluoro-5-methylphenyl)carbamate

C9H9ClFNO2 — CID 164652670

IUPACchloromethyl N-(2-fluoro-5-methylphenyl)carbamate
SMILESCc1ccc(F)c(NC(=O)OCCl)c1
InChIInChI=1S/C9H9ClFNO2/c1-6-2-3-7(11)8(4-6)12-9(13)14-5-10/h2-4H,5H2,1H3,(H,12,13)
InChIKeyYPKSZNRWHJCSDO-UHFFFAOYSA-N
MW217.63 g/mol
LogP2.88
Rot. Bonds2

About chloromethyl N-(2-fluoro-5-methylphenyl)carbamate

chloromethyl N-(2-fluoro-5-methylphenyl)carbamate (PubChem CID 164652670) has the molecular formula C9H9ClFNO2 and a molecular weight of 217.63 g/mol. Its IUPAC name is chloromethyl N-(2-fluoro-5-methylphenyl)carbamate.

Molecular Properties

Compound Namechloromethyl N-(2-fluoro-5-methylphenyl)carbamate
PubChem CID164652670
Molecular FormulaC9H9ClFNO2
Molecular Weight217.63 g/mol
Exact Mass217.03
IUPAC Namechloromethyl N-(2-fluoro-5-methylphenyl)carbamate
SMILESCc1ccc(F)c(NC(=O)OCCl)c1
InChIInChI=1S/C9H9ClFNO2/c1-6-2-3-7(11)8(4-6)12-9(13)14-5-10/h2-4H,5H2,1H3,(H,12,13)
InChIKeyYPKSZNRWHJCSDO-UHFFFAOYSA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.63
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

chloromethyl N-(2-fluoro-5-methoxyphenyl)carbamate
CID 164660390
2-hydroxyethyl N-(2-fluoro-5-methylphenyl)carbamate
CID 79346664
2-(2-aminoethoxy)-N-(2-fluoro-5-methylphenyl)acetamide
CID 79464256
4-(chloromethyl)-N-(2-fluoro-5-methylphenyl)benzamide
CID 43333534
(2S)-2-amino-N-(2-fluoro-5-methylphenyl)butanamide
CID 79025128
(3Z)-3-amino-N-(2-fluoro-5-methylphenyl)-3-hydroxyiminopropanamide
CID 43156189
N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 7718843
2-ethyl-N-(2-fluoro-5-methylphenyl)butanamide
CID 52892789
4-(2-fluoro-5-methylanilino)-4-oxobutanoic acid
CID 6470807
1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 742689
methyl N-(5-chloro-2-fluorophenyl)carbamate
CID 110778567
N-(2-fluoro-5-methylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 17449540

Frequently Asked Questions

What is the IUPAC name of chloromethyl N-(2-fluoro-5-methylphenyl)carbamate?
The IUPAC name of chloromethyl N-(2-fluoro-5-methylphenyl)carbamate (CID 164652670) is chloromethyl N-(2-fluoro-5-methylphenyl)carbamate.
What is the SMILES notation for chloromethyl N-(2-fluoro-5-methylphenyl)carbamate?
The canonical SMILES for chloromethyl N-(2-fluoro-5-methylphenyl)carbamate is Cc1ccc(F)c(NC(=O)OCCl)c1.
What is the InChIKey of chloromethyl N-(2-fluoro-5-methylphenyl)carbamate?
The InChIKey is YPKSZNRWHJCSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO2/c1-6-2-3-7(11)8(4-6)12-9(13)14-5-10/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of chloromethyl N-(2-fluoro-5-methylphenyl)carbamate?
chloromethyl N-(2-fluoro-5-methylphenyl)carbamate has a molecular weight of 217.63 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl N-(2-fluoro-5-methylphenyl)carbamate is sourced from PubChem (CID 164652670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).