4-chloro-N-[3-methyl-1-oxo-1-(pentylamino)butan-2-yl]benzamide

C17H25ClN2O2 — CID 4827657

IUPAC4-chloro-N-[3-methyl-1-oxo-1-(pentylamino)butan-2-yl]benzamide
SMILESCCCCCNC(=O)C(NC(=O)c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C17H25ClN2O2/c1-4-5-6-11-19-17(22)15(12(2)3)20-16(21)13-7-9-14(18)10-8-13/h7-10,12,15H,4-6,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyDYIQYMYKAXCDQR-UHFFFAOYSA-N
MW324.85 g/mol
LogP3.40
Rot. Bonds8

About 4-chloro-N-[3-methyl-1-oxo-1-(pentylamino)butan-2-yl]benzamide

4-chloro-N-[3-methyl-1-oxo-1-(pentylamino)butan-2-yl]benzamide (PubChem CID 4827657) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 4-chloro-N-[3-methyl-1-oxo-1-(pentylamino)butan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-methyl-1-oxo-1-(pentylamino)butan-2-yl]benzamide
PubChem CID4827657
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name4-chloro-N-[3-methyl-1-oxo-1-(pentylamino)butan-2-yl]benzamide
SMILESCCCCCNC(=O)C(NC(=O)c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C17H25ClN2O2/c1-4-5-6-11-19-17(22)15(12(2)3)20-16(21)13-7-9-14(18)10-8-13/h7-10,12,15H,4-6,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyDYIQYMYKAXCDQR-UHFFFAOYSA-N
XLogP3.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[3-methyl-1-oxo-1-(pentylamino)butan-2-yl]benzamide
CID 4811350
4-chloro-N-[1-(2-hydroxyethylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 78783056
4-chloro-N-[(2R)-3-methyl-1-oxo-1-(3-propan-2-yloxypropylamino)butan-2-yl]benzamide
CID 2510831
4-chloro-N-[1-[2-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 74645871
4-chloro-N-[1-(3-hydroxybutylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 111429014
N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride
CID 119668459
N-[1-(butylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 3944138
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 95151348
N-[(2S)-1-[3-[benzyl(methyl)amino]propylamino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 25491544
4-chloro-N-[(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]benzamide
CID 7321021
4-chloro-N-[3-methyl-1-[3-(4-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide
CID 46523639
4-chloro-N-[3-methyl-1-oxo-1-(3-piperazin-1-ylpropylamino)butan-2-yl]benzamide;hydrochloride
CID 119394253

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-methyl-1-oxo-1-(pentylamino)butan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[3-methyl-1-oxo-1-(pentylamino)butan-2-yl]benzamide (CID 4827657) is 4-chloro-N-[3-methyl-1-oxo-1-(pentylamino)butan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-methyl-1-oxo-1-(pentylamino)butan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[3-methyl-1-oxo-1-(pentylamino)butan-2-yl]benzamide is CCCCCNC(=O)C(NC(=O)c1ccc(Cl)cc1)C(C)C.
What is the InChIKey of 4-chloro-N-[3-methyl-1-oxo-1-(pentylamino)butan-2-yl]benzamide?
The InChIKey is DYIQYMYKAXCDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-4-5-6-11-19-17(22)15(12(2)3)20-16(21)13-7-9-14(18)10-8-13/h7-10,12,15H,4-6,11H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 4-chloro-N-[3-methyl-1-oxo-1-(pentylamino)butan-2-yl]benzamide?
4-chloro-N-[3-methyl-1-oxo-1-(pentylamino)butan-2-yl]benzamide has a molecular weight of 324.85 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-methyl-1-oxo-1-(pentylamino)butan-2-yl]benzamide is sourced from PubChem (CID 4827657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).