N-[2-(2-chlorophenoxy)ethyl]-4-fluorobenzamide

C15H13ClFNO2 — CID 99711043

IUPACN-[2-(2-chlorophenoxy)ethyl]-4-fluorobenzamide
SMILESO=C(NCCOc1ccccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C15H13ClFNO2/c16-13-3-1-2-4-14(13)20-10-9-18-15(19)11-5-7-12(17)8-6-11/h1-8H,9-10H2,(H,18,19)
InChIKeyRDWYJMPSOZFTAU-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.29
Rot. Bonds5

About N-[2-(2-chlorophenoxy)ethyl]-4-fluorobenzamide

N-[2-(2-chlorophenoxy)ethyl]-4-fluorobenzamide (PubChem CID 99711043) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-4-fluorobenzamide
PubChem CID99711043
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-4-fluorobenzamide
SMILESO=C(NCCOc1ccccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C15H13ClFNO2/c16-13-3-1-2-4-14(13)20-10-9-18-15(19)11-5-7-12(17)8-6-11/h1-8H,9-10H2,(H,18,19)
InChIKeyRDWYJMPSOZFTAU-UHFFFAOYSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-[2-(2-chlorophenoxy)ethyl]benzamide
CID 113099351
N-[2-(2-chlorophenoxy)ethyl]-5-methylfuran-3-carboxamide
CID 3150911
N-[2-(2-chlorophenoxy)ethyl]-6-methoxynaphthalene-2-carboxamide
CID 5302938
N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenoxy)propanamide
CID 133164174
N-[2-(2-chlorophenoxy)ethyl]-3,5-dinitrobenzamide;methane
CID 158874069
1-N,3-N-bis[2-(2-chlorophenoxy)ethyl]-5-nitrobenzene-1,3-dicarboxamide
CID 3710842
1-[2-(2-chlorophenoxy)ethyl]-3-(4-fluorophenyl)thiourea
CID 100749849
4-[[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17218233
3,4-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide
CID 113099201
1-[2-(2-chlorophenoxy)ethyl]-3-(3-fluorophenyl)urea
CID 112970688
N-(2-aminooxyethyl)-4-fluorobenzamide
CID 39239976
N-[2-(2-chlorophenoxy)ethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 6459476

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-4-fluorobenzamide (CID 99711043) is N-[2-(2-chlorophenoxy)ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-4-fluorobenzamide is O=C(NCCOc1ccccc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-4-fluorobenzamide?
The InChIKey is RDWYJMPSOZFTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c16-13-3-1-2-4-14(13)20-10-9-18-15(19)11-5-7-12(17)8-6-11/h1-8H,9-10H2,(H,18,19).
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-4-fluorobenzamide?
N-[2-(2-chlorophenoxy)ethyl]-4-fluorobenzamide has a molecular weight of 293.73 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 99711043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).