2-chloro-N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]benzamide

C19H20ClFN2O3 — CID 42572414

IUPAC2-chloro-N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)NCCCCOc1ccc(F)cc1
InChIInChI=1S/C19H20ClFN2O3/c20-17-6-2-1-5-16(17)19(25)23-13-18(24)22-11-3-4-12-26-15-9-7-14(21)8-10-15/h1-2,5-10H,3-4,11-13H2,(H,22,24)(H,23,25)
InChIKeyJYBFUVLXAPLMNY-UHFFFAOYSA-N
MW378.83 g/mol
LogP3.18
Rot. Bonds9

About 2-chloro-N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]benzamide

2-chloro-N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]benzamide (PubChem CID 42572414) has the molecular formula C19H20ClFN2O3 and a molecular weight of 378.83 g/mol. Its IUPAC name is 2-chloro-N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]benzamide
PubChem CID42572414
Molecular FormulaC19H20ClFN2O3
Molecular Weight378.83 g/mol
Exact Mass378.11
IUPAC Name2-chloro-N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)NCCCCOc1ccc(F)cc1
InChIInChI=1S/C19H20ClFN2O3/c20-17-6-2-1-5-16(17)19(25)23-13-18(24)22-11-3-4-12-26-15-9-7-14(21)8-10-15/h1-2,5-10H,3-4,11-13H2,(H,22,24)(H,23,25)
InChIKeyJYBFUVLXAPLMNY-UHFFFAOYSA-N
XLogP3.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.83
LogP ≤ 53.18
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-chloro-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide
CID 26676807
2-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9022566
N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55873980
N-[4-(4-chlorophenoxy)butyl]-2-fluorobenzamide
CID 17459278
2-chloro-N-[2-(3-hydroxypropylamino)-2-oxoethyl]benzamide
CID 43392696
N-[4-(4-fluorophenoxy)butyl]-2-(2-hydroxyphenoxy)acetamide
CID 78830111
N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 46461439
2-chloro-6-fluoro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 112994867
2-(4-bromophenyl)-N-[4-(4-fluorophenoxy)butyl]acetamide
CID 42572295
2-[2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]ethoxy]acetic acid
CID 79468883
2-chloro-6-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 30865871
2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide
CID 24554342

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]benzamide (CID 42572414) is 2-chloro-N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1Cl)NCCCCOc1ccc(F)cc1.
What is the InChIKey of 2-chloro-N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]benzamide?
The InChIKey is JYBFUVLXAPLMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O3/c20-17-6-2-1-5-16(17)19(25)23-13-18(24)22-11-3-4-12-26-15-9-7-14(21)8-10-15/h1-2,5-10H,3-4,11-13H2,(H,22,24)(H,23,25).
What are the key properties of 2-chloro-N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]benzamide?
2-chloro-N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]benzamide has a molecular weight of 378.83 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 42572414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).