2,4-difluoro-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide

C18H18F2N2O3 — CID 108574502

IUPAC2,4-difluoro-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide
SMILESCc1ccc(OCC(=O)NCCNC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C18H18F2N2O3/c1-12-2-5-14(6-3-12)25-11-17(23)21-8-9-22-18(24)15-7-4-13(19)10-16(15)20/h2-7,10H,8-9,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyDTGPQCUGAGQQPU-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.20
Rot. Bonds7

About 2,4-difluoro-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide

2,4-difluoro-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide (PubChem CID 108574502) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide
PubChem CID108574502
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC Name2,4-difluoro-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide
SMILESCc1ccc(OCC(=O)NCCNC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C18H18F2N2O3/c1-12-2-5-14(6-3-12)25-11-17(23)21-8-9-22-18(24)15-7-4-13(19)10-16(15)20/h2-7,10H,8-9,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyDTGPQCUGAGQQPU-UHFFFAOYSA-N
XLogP2.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.20
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

2,4-difluoro-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108574241
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-2,4-difluorobenzamide
CID 108573126
N-(2,4-difluorophenyl)-2-(4-methylphenoxy)acetamide
CID 755254
N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108542788
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108542091
2,4-difluoro-N-(2-phenoxyethyl)benzamide
CID 26676947
4-methoxy-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide
CID 108537866
2,4-difluoro-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide
CID 18168568
N-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-difluorobenzamide
CID 29415155
N-[2-[[2-(4-fluorophenoxy)acetyl]amino]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083486
2,4-difluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573742
N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
CID 2985213

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide (CID 108574502) is 2,4-difluoro-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide is Cc1ccc(OCC(=O)NCCNC(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of 2,4-difluoro-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide?
The InChIKey is DTGPQCUGAGQQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-12-2-5-14(6-3-12)25-11-17(23)21-8-9-22-18(24)15-7-4-13(19)10-16(15)20/h2-7,10H,8-9,11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2,4-difluoro-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide?
2,4-difluoro-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide has a molecular weight of 348.35 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide is sourced from PubChem (CID 108574502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).