N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-2,4-difluorobenzamide

C19H20F2N2O3 — CID 108573126

IUPACN-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-2,4-difluorobenzamide
SMILESCCOc1ccc(CC(=O)NCCNC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C19H20F2N2O3/c1-2-26-15-6-3-13(4-7-15)11-18(24)22-9-10-23-19(25)16-8-5-14(20)12-17(16)21/h3-8,12H,2,9-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyGOXZHWVUIYJILT-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.45
Rot. Bonds8

About N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-2,4-difluorobenzamide

N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-2,4-difluorobenzamide (PubChem CID 108573126) has the molecular formula C19H20F2N2O3 and a molecular weight of 362.38 g/mol. Its IUPAC name is N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-2,4-difluorobenzamide
PubChem CID108573126
Molecular FormulaC19H20F2N2O3
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC NameN-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-2,4-difluorobenzamide
SMILESCCOc1ccc(CC(=O)NCCNC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C19H20F2N2O3/c1-2-26-15-6-3-13(4-7-15)11-18(24)22-9-10-23-19(25)16-8-5-14(20)12-17(16)21/h3-8,12H,2,9-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyGOXZHWVUIYJILT-UHFFFAOYSA-N
XLogP2.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.45
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-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide
CID 108574502
N-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-difluorobenzamide
CID 29415155
N'-(4-ethoxybenzoyl)-2,4-difluorobenzohydrazide
CID 8915144
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]butanamide
CID 108573115
2,4-difluoro-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108574241
ethyl N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]carbamate
CID 108573122
N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108542788
2,4-difluoro-N-(2-phenoxyethyl)benzamide
CID 26676947
2-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 17068473
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2,4-difluorobenzamide
CID 41241218
N-[2-(4-ethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110788126
2,4-difluoro-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide
CID 18168568

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-2,4-difluorobenzamide?
The IUPAC name of N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-2,4-difluorobenzamide (CID 108573126) is N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-2,4-difluorobenzamide is CCOc1ccc(CC(=O)NCCNC(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-2,4-difluorobenzamide?
The InChIKey is GOXZHWVUIYJILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3/c1-2-26-15-6-3-13(4-7-15)11-18(24)22-9-10-23-19(25)16-8-5-14(20)12-17(16)21/h3-8,12H,2,9-11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-2,4-difluorobenzamide?
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-2,4-difluorobenzamide has a molecular weight of 362.38 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-2,4-difluorobenzamide is sourced from PubChem (CID 108573126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).