4-bromo-N-[3-oxo-3-[2-(4-propan-2-ylphenyl)ethylamino]propyl]benzamide

C21H25BrN2O2 — CID 24683750

IUPAC4-bromo-N-[3-oxo-3-[2-(4-propan-2-ylphenyl)ethylamino]propyl]benzamide
SMILESCC(C)c1ccc(CCNC(=O)CCNC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H25BrN2O2/c1-15(2)17-5-3-16(4-6-17)11-13-23-20(25)12-14-24-21(26)18-7-9-19(22)10-8-18/h3-10,15H,11-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyZQBGKMATMOWFGJ-UHFFFAOYSA-N
MW417.35 g/mol
LogP4.05
Rot. Bonds8

About 4-bromo-N-[3-oxo-3-[2-(4-propan-2-ylphenyl)ethylamino]propyl]benzamide

4-bromo-N-[3-oxo-3-[2-(4-propan-2-ylphenyl)ethylamino]propyl]benzamide (PubChem CID 24683750) has the molecular formula C21H25BrN2O2 and a molecular weight of 417.35 g/mol. Its IUPAC name is 4-bromo-N-[3-oxo-3-[2-(4-propan-2-ylphenyl)ethylamino]propyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-oxo-3-[2-(4-propan-2-ylphenyl)ethylamino]propyl]benzamide
PubChem CID24683750
Molecular FormulaC21H25BrN2O2
Molecular Weight417.35 g/mol
Exact Mass416.11
IUPAC Name4-bromo-N-[3-oxo-3-[2-(4-propan-2-ylphenyl)ethylamino]propyl]benzamide
SMILESCC(C)c1ccc(CCNC(=O)CCNC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H25BrN2O2/c1-15(2)17-5-3-16(4-6-17)11-13-23-20(25)12-14-24-21(26)18-7-9-19(22)10-8-18/h3-10,15H,11-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyZQBGKMATMOWFGJ-UHFFFAOYSA-N
XLogP4.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.35
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide
CID 47098552
propan-2-yl 3-[3-[(4-bromobenzoyl)amino]propanoylamino]propanoate
CID 51256412
4-bromo-N-[3-[2-(methylamino)ethylamino]-3-oxopropyl]benzamide;hydrochloride
CID 119503431
4-hydroxy-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 94689915
4-bromo-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 2118904
4-bromo-N-[3-[2-(methylamino)propylamino]-3-oxopropyl]benzamide
CID 120831395
4-bromo-N-[3-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-oxopropyl]benzamide
CID 26443729
4-bromo-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide
CID 24636628
N-[2-(4-bromophenyl)ethyl]-3-hydroxypropanamide
CID 115139262
N-[2-[(2-phenylacetyl)amino]ethyl]-4-propan-2-ylbenzamide
CID 108571670
N'-(4-bromobenzoyl)-4-propan-2-ylbenzohydrazide
CID 18229988
4-bromo-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide
CID 2530960

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-oxo-3-[2-(4-propan-2-ylphenyl)ethylamino]propyl]benzamide?
The IUPAC name of 4-bromo-N-[3-oxo-3-[2-(4-propan-2-ylphenyl)ethylamino]propyl]benzamide (CID 24683750) is 4-bromo-N-[3-oxo-3-[2-(4-propan-2-ylphenyl)ethylamino]propyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-oxo-3-[2-(4-propan-2-ylphenyl)ethylamino]propyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-oxo-3-[2-(4-propan-2-ylphenyl)ethylamino]propyl]benzamide is CC(C)c1ccc(CCNC(=O)CCNC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-bromo-N-[3-oxo-3-[2-(4-propan-2-ylphenyl)ethylamino]propyl]benzamide?
The InChIKey is ZQBGKMATMOWFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O2/c1-15(2)17-5-3-16(4-6-17)11-13-23-20(25)12-14-24-21(26)18-7-9-19(22)10-8-18/h3-10,15H,11-14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 4-bromo-N-[3-oxo-3-[2-(4-propan-2-ylphenyl)ethylamino]propyl]benzamide?
4-bromo-N-[3-oxo-3-[2-(4-propan-2-ylphenyl)ethylamino]propyl]benzamide has a molecular weight of 417.35 g/mol, XLogP of 4.05, 8 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-(4-propan-2-ylphenyl)ethylamino]propyl]benzamide is sourced from PubChem (CID 24683750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).