2-[(4-bromophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-ethyl-3-phenylpropanamide

C26H26BrFN2O2 — CID 132618917

IUPAC2-[(4-bromophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-ethyl-3-phenylpropanamide
SMILESCCNC(=O)C(Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1F
InChIInChI=1S/C26H26BrFN2O2/c1-2-29-26(32)24(16-19-8-4-3-5-9-19)30(18-20-12-14-22(27)15-13-20)25(31)17-21-10-6-7-11-23(21)28/h3-15,24H,2,16-18H2,1H3,(H,29,32)
InChIKeyVKOGFDXIHCEYLH-UHFFFAOYSA-N
MW497.41 g/mol
LogP4.91
Rot. Bonds9

About 2-[(4-bromophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-ethyl-3-phenylpropanamide

2-[(4-bromophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-ethyl-3-phenylpropanamide (PubChem CID 132618917) has the molecular formula C26H26BrFN2O2 and a molecular weight of 497.41 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-ethyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-ethyl-3-phenylpropanamide
PubChem CID132618917
Molecular FormulaC26H26BrFN2O2
Molecular Weight497.41 g/mol
Exact Mass496.12
IUPAC Name2-[(4-bromophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-ethyl-3-phenylpropanamide
SMILESCCNC(=O)C(Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1F
InChIInChI=1S/C26H26BrFN2O2/c1-2-29-26(32)24(16-19-8-4-3-5-9-19)30(18-20-12-14-22(27)15-13-20)25(31)17-21-10-6-7-11-23(21)28/h3-15,24H,2,16-18H2,1H3,(H,29,32)
InChIKeyVKOGFDXIHCEYLH-UHFFFAOYSA-N
XLogP4.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.41
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[[2-(2-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 132610892
2-[(4-bromophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-ethyl-3-phenylpropanamide
CID 132620268
2-[(4-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-ethyl-3-phenylpropanamide
CID 132621239
(2S)-2-[(4-bromophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 100680389
(2S)-2-[(4-bromophenyl)methyl-[2-[(2-fluorophenyl)methylsulfanyl]acetyl]amino]-N-butyl-3-phenylpropanamide
CID 100679895
2-[(4-bromophenyl)methyl-[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 133206643
N-ethyl-2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-3-phenylpropanamide
CID 132610904
2-[(4-bromophenyl)methyl-[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-ethyl-3-phenylpropanamide
CID 132635744
2-[(4-bromophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-ethyl-3-phenylpropanamide
CID 132625062
N-ethyl-2-[[2-(2-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 132610596
2-[(4-bromophenyl)methyl-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]amino]-N-ethyl-3-phenylpropanamide
CID 132638181
2-[(4-bromophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-3-phenyl-N-propylpropanamide
CID 132622234

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-ethyl-3-phenylpropanamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-ethyl-3-phenylpropanamide (CID 132618917) is 2-[(4-bromophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-ethyl-3-phenylpropanamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-ethyl-3-phenylpropanamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-ethyl-3-phenylpropanamide is CCNC(=O)C(Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1F.
What is the InChIKey of 2-[(4-bromophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-ethyl-3-phenylpropanamide?
The InChIKey is VKOGFDXIHCEYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26BrFN2O2/c1-2-29-26(32)24(16-19-8-4-3-5-9-19)30(18-20-12-14-22(27)15-13-20)25(31)17-21-10-6-7-11-23(21)28/h3-15,24H,2,16-18H2,1H3,(H,29,32).
What are the key properties of 2-[(4-bromophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-ethyl-3-phenylpropanamide?
2-[(4-bromophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-ethyl-3-phenylpropanamide has a molecular weight of 497.41 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-ethyl-3-phenylpropanamide is sourced from PubChem (CID 132618917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).