N-[2-[2-(3-bromo-4-fluorophenyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide

C19H20BrFN2O3 — CID 60552806

IUPACN-[2-[2-(3-bromo-4-fluorophenyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCCc2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C19H20BrFN2O3/c1-2-26-15-6-4-14(5-7-15)19(25)23-12-18(24)22-10-9-13-3-8-17(21)16(20)11-13/h3-8,11H,2,9-10,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyBRHZNKDZFLPGCU-UHFFFAOYSA-N
MW423.28 g/mol
LogP3.08
Rot. Bonds8

About N-[2-[2-(3-bromo-4-fluorophenyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide

N-[2-[2-(3-bromo-4-fluorophenyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide (PubChem CID 60552806) has the molecular formula C19H20BrFN2O3 and a molecular weight of 423.28 g/mol. Its IUPAC name is N-[2-[2-(3-bromo-4-fluorophenyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(3-bromo-4-fluorophenyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide
PubChem CID60552806
Molecular FormulaC19H20BrFN2O3
Molecular Weight423.28 g/mol
Exact Mass422.06
IUPAC NameN-[2-[2-(3-bromo-4-fluorophenyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCCc2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C19H20BrFN2O3/c1-2-26-15-6-4-14(5-7-15)19(25)23-12-18(24)22-10-9-13-3-8-17(21)16(20)11-13/h3-8,11H,2,9-10,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyBRHZNKDZFLPGCU-UHFFFAOYSA-N
XLogP3.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.28
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 60547662
3-[2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]ethyl]benzoic acid
CID 120535479
4-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9022553
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 27660429
N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide
CID 34231237
N-[2-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]benzamide
CID 108539279
3,4-diethoxy-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 18206885
4-fluoro-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 27548793
4-ethoxy-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide
CID 41412796
3,4-difluoro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 112993558
4-ethoxy-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 27770384
N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-methoxybenzamide
CID 110788878

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-bromo-4-fluorophenyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide?
The IUPAC name of N-[2-[2-(3-bromo-4-fluorophenyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide (CID 60552806) is N-[2-[2-(3-bromo-4-fluorophenyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[2-[2-(3-bromo-4-fluorophenyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide?
The canonical SMILES for N-[2-[2-(3-bromo-4-fluorophenyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NCC(=O)NCCc2ccc(F)c(Br)c2)cc1.
What is the InChIKey of N-[2-[2-(3-bromo-4-fluorophenyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide?
The InChIKey is BRHZNKDZFLPGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN2O3/c1-2-26-15-6-4-14(5-7-15)19(25)23-12-18(24)22-10-9-13-3-8-17(21)16(20)11-13/h3-8,11H,2,9-10,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-[2-(3-bromo-4-fluorophenyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide?
N-[2-[2-(3-bromo-4-fluorophenyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide has a molecular weight of 423.28 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-bromo-4-fluorophenyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide is sourced from PubChem (CID 60552806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).