N-[3-(2-fluoroethoxy)phenyl]carbamoyl chloride

C9H9ClFNO2 — CID 130015965

IUPACN-[3-(2-fluoroethoxy)phenyl]carbamoyl chloride
SMILESO=C(Cl)Nc1cccc(OCCF)c1
InChIInChI=1S/C9H9ClFNO2/c10-9(13)12-7-2-1-3-8(6-7)14-5-4-11/h1-3,6H,4-5H2,(H,12,13)
InChIKeyGBFOAHXICDBHLN-UHFFFAOYSA-N
MW217.63 g/mol
LogP2.81
Rot. Bonds4

About N-[3-(2-fluoroethoxy)phenyl]carbamoyl chloride

N-[3-(2-fluoroethoxy)phenyl]carbamoyl chloride (PubChem CID 130015965) has the molecular formula C9H9ClFNO2 and a molecular weight of 217.63 g/mol. Its IUPAC name is N-[3-(2-fluoroethoxy)phenyl]carbamoyl chloride.

Molecular Properties

Compound NameN-[3-(2-fluoroethoxy)phenyl]carbamoyl chloride
PubChem CID130015965
Molecular FormulaC9H9ClFNO2
Molecular Weight217.63 g/mol
Exact Mass217.03
IUPAC NameN-[3-(2-fluoroethoxy)phenyl]carbamoyl chloride
SMILESO=C(Cl)Nc1cccc(OCCF)c1
InChIInChI=1S/C9H9ClFNO2/c10-9(13)12-7-2-1-3-8(6-7)14-5-4-11/h1-3,6H,4-5H2,(H,12,13)
InChIKeyGBFOAHXICDBHLN-UHFFFAOYSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.63
LogP ≤ 52.81
H-Bond Donors ≤ 51
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

2-amino-N-[3-(2-fluoroethoxy)phenyl]acetamide;hydrochloride
CID 119337987
(2R)-2-amino-N-[3-(2-fluoroethoxy)phenyl]propanamide
CID 119337996
N'-(3-ethynylphenyl)-N-[3-(2-fluoroethoxy)phenyl]oxamide
CID 99584902
N-[3-(2-fluoroethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 136517303
N-[3-(2-fluoroethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119337978
N-[3-(2-fluoroethoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119808988
2,2-diethyl-4-[3-(2-fluoroethoxy)anilino]-4-oxobutanoic acid
CID 119163768
3-amino-N-[3-(2-fluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119808982
(3aR,6aR)-N-[3-(2-fluoroethoxy)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 97225832
3-[[3-(2-fluoroethoxy)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122086785
N-[3-(4-oxopentoxy)phenyl]acetamide
CID 62030070
N-[3-(2-fluoroethoxy)phenyl]piperidine-2-carboxamide
CID 119337980

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluoroethoxy)phenyl]carbamoyl chloride?
The IUPAC name of N-[3-(2-fluoroethoxy)phenyl]carbamoyl chloride (CID 130015965) is N-[3-(2-fluoroethoxy)phenyl]carbamoyl chloride.
What is the SMILES notation for N-[3-(2-fluoroethoxy)phenyl]carbamoyl chloride?
The canonical SMILES for N-[3-(2-fluoroethoxy)phenyl]carbamoyl chloride is O=C(Cl)Nc1cccc(OCCF)c1.
What is the InChIKey of N-[3-(2-fluoroethoxy)phenyl]carbamoyl chloride?
The InChIKey is GBFOAHXICDBHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO2/c10-9(13)12-7-2-1-3-8(6-7)14-5-4-11/h1-3,6H,4-5H2,(H,12,13).
What are the key properties of N-[3-(2-fluoroethoxy)phenyl]carbamoyl chloride?
N-[3-(2-fluoroethoxy)phenyl]carbamoyl chloride has a molecular weight of 217.63 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluoroethoxy)phenyl]carbamoyl chloride is sourced from PubChem (CID 130015965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).