4-bromo-N-[3-(2-cyclohexylethylamino)-3-oxopropyl]benzamide

C18H25BrN2O2 — CID 46400985

IUPAC4-bromo-N-[3-(2-cyclohexylethylamino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)NCCC1CCCCC1
InChIInChI=1S/C18H25BrN2O2/c19-16-8-6-15(7-9-16)18(23)21-13-11-17(22)20-12-10-14-4-2-1-3-5-14/h6-9,14H,1-5,10-13H2,(H,20,22)(H,21,23)
InChIKeyWAFHOJMTTNIWTD-UHFFFAOYSA-N
MW381.31 g/mol
LogP3.66
Rot. Bonds7

About 4-bromo-N-[3-(2-cyclohexylethylamino)-3-oxopropyl]benzamide

4-bromo-N-[3-(2-cyclohexylethylamino)-3-oxopropyl]benzamide (PubChem CID 46400985) has the molecular formula C18H25BrN2O2 and a molecular weight of 381.31 g/mol. Its IUPAC name is 4-bromo-N-[3-(2-cyclohexylethylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(2-cyclohexylethylamino)-3-oxopropyl]benzamide
PubChem CID46400985
Molecular FormulaC18H25BrN2O2
Molecular Weight381.31 g/mol
Exact Mass380.11
IUPAC Name4-bromo-N-[3-(2-cyclohexylethylamino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)NCCC1CCCCC1
InChIInChI=1S/C18H25BrN2O2/c19-16-8-6-15(7-9-16)18(23)21-13-11-17(22)20-12-10-14-4-2-1-3-5-14/h6-9,14H,1-5,10-13H2,(H,20,22)(H,21,23)
InChIKeyWAFHOJMTTNIWTD-UHFFFAOYSA-N
XLogP3.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2-cyclohexylethyl)benzamide
CID 63524562
4-bromo-N-[3-(cyclooctylamino)-3-oxopropyl]benzamide
CID 24635141
N-(2-cyclopentylethyl)-4-iodobenzamide
CID 60732288
3-bromo-N-(2-cyclohexylethyl)benzamide
CID 63524561
4-tert-butyl-N-[3-oxo-3-(2-piperidin-3-ylethylamino)propyl]benzamide
CID 119556823
3-bromo-N-(2-cyclohexylethyl)-4-fluorobenzamide
CID 107951613
4-bromo-N-[3-[2-(methylamino)ethylamino]-3-oxopropyl]benzamide;hydrochloride
CID 119503431
N-(2-cyclohexylethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 60916634
N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 46437044
N-[3-(3-aminopropylamino)-3-oxopropyl]-4-bromobenzamide;hydrochloride
CID 119408124
N-(2-cyclohexylethyl)-4-(propylamino)benzamide
CID 62180221
5-bromo-2-chloro-N-(2-cycloheptylethyl)benzamide
CID 100537060

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(2-cyclohexylethylamino)-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-(2-cyclohexylethylamino)-3-oxopropyl]benzamide (CID 46400985) is 4-bromo-N-[3-(2-cyclohexylethylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-(2-cyclohexylethylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-(2-cyclohexylethylamino)-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(Br)cc1)NCCC1CCCCC1.
What is the InChIKey of 4-bromo-N-[3-(2-cyclohexylethylamino)-3-oxopropyl]benzamide?
The InChIKey is WAFHOJMTTNIWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2O2/c19-16-8-6-15(7-9-16)18(23)21-13-11-17(22)20-12-10-14-4-2-1-3-5-14/h6-9,14H,1-5,10-13H2,(H,20,22)(H,21,23).
What are the key properties of 4-bromo-N-[3-(2-cyclohexylethylamino)-3-oxopropyl]benzamide?
4-bromo-N-[3-(2-cyclohexylethylamino)-3-oxopropyl]benzamide has a molecular weight of 381.31 g/mol, XLogP of 3.66, 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-(2-cyclohexylethylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 46400985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).