N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-fluorobenzamide

C17H16ClFN2O3 — CID 108542091

IUPACN-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-fluorobenzamide
SMILESO=C(COc1ccc(Cl)cc1)NCCNC(=O)c1cccc(F)c1
InChIInChI=1S/C17H16ClFN2O3/c18-13-4-6-15(7-5-13)24-11-16(22)20-8-9-21-17(23)12-2-1-3-14(19)10-12/h1-7,10H,8-9,11H2,(H,20,22)(H,21,23)
InChIKeyQDGFVJOZOFIGPW-UHFFFAOYSA-N
MW350.78 g/mol
LogP2.40
Rot. Bonds7

About N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-fluorobenzamide

N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-fluorobenzamide (PubChem CID 108542091) has the molecular formula C17H16ClFN2O3 and a molecular weight of 350.78 g/mol. Its IUPAC name is N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-fluorobenzamide
PubChem CID108542091
Molecular FormulaC17H16ClFN2O3
Molecular Weight350.78 g/mol
Exact Mass350.08
IUPAC NameN-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-fluorobenzamide
SMILESO=C(COc1ccc(Cl)cc1)NCCNC(=O)c1cccc(F)c1
InChIInChI=1S/C17H16ClFN2O3/c18-13-4-6-15(7-5-13)24-11-16(22)20-8-9-21-17(23)12-2-1-3-14(19)10-12/h1-7,10H,8-9,11H2,(H,20,22)(H,21,23)
InChIKeyQDGFVJOZOFIGPW-UHFFFAOYSA-N
XLogP2.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108542788
N-[2-(4-chlorophenoxy)ethyl]-3-fluorobenzamide
CID 92748915
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-methoxybenzamide
CID 40718388
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108574697
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-fluorobenzoate
CID 8612122
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-fluorophenyl)benzamide
CID 55888092
3-fluoro-N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]benzamide
CID 108542879
3-fluoro-N-[2-[4-(4-methylphenoxy)butanoylamino]ethyl]benzamide
CID 108541666
N-[2-(4-aminophenoxy)ethyl]-3-fluorobenzamide
CID 39373072
3,4-dichloro-N-[2-[(3-fluorobenzoyl)amino]ethyl]benzamide
CID 34819338
2,4-difluoro-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide
CID 108574502
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 26158844

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-fluorobenzamide (CID 108542091) is N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-fluorobenzamide is O=C(COc1ccc(Cl)cc1)NCCNC(=O)c1cccc(F)c1.
What is the InChIKey of N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-fluorobenzamide?
The InChIKey is QDGFVJOZOFIGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3/c18-13-4-6-15(7-5-13)24-11-16(22)20-8-9-21-17(23)12-2-1-3-14(19)10-12/h1-7,10H,8-9,11H2,(H,20,22)(H,21,23).
What are the key properties of N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-fluorobenzamide?
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-fluorobenzamide has a molecular weight of 350.78 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-fluorobenzamide is sourced from PubChem (CID 108542091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).