2-[(3-bromophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propan-2-ylpropanamide

C21H24BrFN2O2 — CID 133194744

IUPAC2-[(3-bromophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C21H24BrFN2O2/c1-14(2)24-21(27)15(3)25(13-17-5-4-6-18(22)11-17)20(26)12-16-7-9-19(23)10-8-16/h4-11,14-15H,12-13H2,1-3H3,(H,24,27)
InChIKeyOCVCLYPBXJTHCD-UHFFFAOYSA-N
MW435.34 g/mol
LogP4.07
Rot. Bonds7

About 2-[(3-bromophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propan-2-ylpropanamide

2-[(3-bromophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propan-2-ylpropanamide (PubChem CID 133194744) has the molecular formula C21H24BrFN2O2 and a molecular weight of 435.34 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propan-2-ylpropanamide
PubChem CID133194744
Molecular FormulaC21H24BrFN2O2
Molecular Weight435.34 g/mol
Exact Mass434.10
IUPAC Name2-[(3-bromophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C21H24BrFN2O2/c1-14(2)24-21(27)15(3)25(13-17-5-4-6-18(22)11-17)20(26)12-16-7-9-19(23)10-8-16/h4-11,14-15H,12-13H2,1-3H3,(H,24,27)
InChIKeyOCVCLYPBXJTHCD-UHFFFAOYSA-N
XLogP4.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.34
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(3-bromophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-butylpropanamide
CID 100572254
2-[(3-bromophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 133194706
2-[[2-(4-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132656209
2-[[2-(4-fluorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132658307
(2S)-2-[[2-(4-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100669445
(2R)-2-[(3-bromophenyl)methyl-(2-phenylacetyl)amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100517856
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 100540743
2-[(3-bromophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-butan-2-ylpropanamide
CID 133258412
(2R)-2-[benzyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide
CID 100638766
2-[(3-bromophenyl)methyl-[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]-N-tert-butylpropanamide
CID 133146046
2-[(3-bromophenyl)methyl-[2-(4-chlorophenyl)acetyl]amino]-N-tert-butylpropanamide
CID 133145829
2-[[2-(4-bromophenoxy)acetyl]-[(3-bromophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 133194707

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(3-bromophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propan-2-ylpropanamide (CID 133194744) is 2-[(3-bromophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(3-bromophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(3-bromophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)N(Cc1cccc(Br)c1)C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(3-bromophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is OCVCLYPBXJTHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrFN2O2/c1-14(2)24-21(27)15(3)25(13-17-5-4-6-18(22)11-17)20(26)12-16-7-9-19(23)10-8-16/h4-11,14-15H,12-13H2,1-3H3,(H,24,27).
What are the key properties of 2-[(3-bromophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propan-2-ylpropanamide?
2-[(3-bromophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 435.34 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 133194744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).