4-bromo-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide

C19H21BrN2O2 — CID 24636628

IUPAC4-bromo-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide
SMILESCC(CNC(=O)CCNC(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C19H21BrN2O2/c1-14(15-5-3-2-4-6-15)13-22-18(23)11-12-21-19(24)16-7-9-17(20)10-8-16/h2-10,14H,11-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyUPRYZVZDEOZCES-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.49
Rot. Bonds7

About 4-bromo-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide

4-bromo-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide (PubChem CID 24636628) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 4-bromo-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide
PubChem CID24636628
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name4-bromo-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide
SMILESCC(CNC(=O)CCNC(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C19H21BrN2O2/c1-14(15-5-3-2-4-6-15)13-22-18(23)11-12-21-19(24)16-7-9-17(20)10-8-16/h2-10,14H,11-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyUPRYZVZDEOZCES-UHFFFAOYSA-N
XLogP3.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-nitro-N-[3-oxo-3-[[(2R)-2-phenylpropyl]amino]propyl]benzamide
CID 9301414
4-nitro-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide
CID 18159360
4-bromo-N-[3-[2-(methylamino)propylamino]-3-oxopropyl]benzamide
CID 120831395
4-bromo-N-[3-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-3-oxopropyl]benzamide
CID 43003283
4-bromo-N-[3-oxo-3-[2-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
CID 55694698
4-(4-bromophenoxy)-N-[(2R)-2-phenylpropyl]butanamide
CID 9302251
3-(phenylcarbamoylamino)-N-[(2S)-2-phenylpropyl]propanamide
CID 40798663
[(2R)-2-[3-[(4-bromobenzoyl)amino]propanoylamino]-2-phenylethyl]-dimethylazanium
CID 8937316
4-bromo-N-[3-[[(1R)-2-(dimethylamino)-1-phenylethyl]amino]-3-oxopropyl]benzamide
CID 8937317
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
4-methyl-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
CID 17400864
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide?
The IUPAC name of 4-bromo-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide (CID 24636628) is 4-bromo-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide is CC(CNC(=O)CCNC(=O)c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 4-bromo-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide?
The InChIKey is UPRYZVZDEOZCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-14(15-5-3-2-4-6-15)13-22-18(23)11-12-21-19(24)16-7-9-17(20)10-8-16/h2-10,14H,11-13H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 4-bromo-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide?
4-bromo-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide has a molecular weight of 389.29 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide is sourced from PubChem (CID 24636628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).