2-(4-bromophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide

C19H20BrFN2O2 — CID 27821749

IUPAC2-(4-bromophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C19H20BrFN2O2/c1-2-23(19(25)11-14-3-7-16(20)8-4-14)13-18(24)22-12-15-5-9-17(21)10-6-15/h3-10H,2,11-13H2,1H3,(H,22,24)
InChIKeyQYOIQEFPWBQIKZ-UHFFFAOYSA-N
MW407.28 g/mol
LogP3.30
Rot. Bonds7

About 2-(4-bromophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide

2-(4-bromophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide (PubChem CID 27821749) has the molecular formula C19H20BrFN2O2 and a molecular weight of 407.28 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
PubChem CID27821749
Molecular FormulaC19H20BrFN2O2
Molecular Weight407.28 g/mol
Exact Mass406.07
IUPAC Name2-(4-bromophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C19H20BrFN2O2/c1-2-23(19(25)11-14-3-7-16(20)8-4-14)13-18(24)22-12-15-5-9-17(21)10-6-15/h3-10H,2,11-13H2,1H3,(H,22,24)
InChIKeyQYOIQEFPWBQIKZ-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 119680664
2-(3,4-dimethylphenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 8960641
2-(2-chlorophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 26266085
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 26266099
5-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 27821732
2-[[2-(2-bromophenoxy)acetyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 112777984
2-[[2-(4-bromoanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27201213
N-ethyl-2-(4-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 78789833
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 26266062
2-[ethyl-[2-(N-ethylanilino)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 55437782
ethyl N-[2-[[2-(4-bromophenyl)acetyl]-ethylamino]acetyl]carbamate
CID 9208190
[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7705225

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide (CID 27821749) is 2-(4-bromophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide?
The InChIKey is QYOIQEFPWBQIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN2O2/c1-2-23(19(25)11-14-3-7-16(20)8-4-14)13-18(24)22-12-15-5-9-17(21)10-6-15/h3-10H,2,11-13H2,1H3,(H,22,24).
What are the key properties of 2-(4-bromophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide?
2-(4-bromophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide has a molecular weight of 407.28 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide is sourced from PubChem (CID 27821749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).