4-bromo-N-[3-(cyclooctylamino)-3-oxopropyl]benzamide

C18H25BrN2O2 — CID 24635141

IUPAC4-bromo-N-[3-(cyclooctylamino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)NC1CCCCCCC1
InChIInChI=1S/C18H25BrN2O2/c19-15-10-8-14(9-11-15)18(23)20-13-12-17(22)21-16-6-4-2-1-3-5-7-16/h8-11,16H,1-7,12-13H2,(H,20,23)(H,21,22)
InChIKeyVBBMKNYPELWTJV-UHFFFAOYSA-N
MW381.31 g/mol
LogP3.80
Rot. Bonds5

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

4-bromo-N-[3-(cyclooctylamino)-3-oxopropyl]benzamide (PubChem CID 24635141) has the molecular formula C18H25BrN2O2 and a molecular weight of 381.31 g/mol. Its IUPAC name is 4-bromo-N-[3-(cyclooctylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(cyclooctylamino)-3-oxopropyl]benzamide
PubChem CID24635141
Molecular FormulaC18H25BrN2O2
Molecular Weight381.31 g/mol
Exact Mass380.11
IUPAC Name4-bromo-N-[3-(cyclooctylamino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)NC1CCCCCCC1
InChIInChI=1S/C18H25BrN2O2/c19-15-10-8-14(9-11-15)18(23)20-13-12-17(22)21-16-6-4-2-1-3-5-7-16/h8-11,16H,1-7,12-13H2,(H,20,23)(H,21,22)
InChIKeyVBBMKNYPELWTJV-UHFFFAOYSA-N
XLogP3.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide
CID 4822526
4-chloro-N-[3-(cyclopentylamino)-3-oxopropyl]benzamide
CID 9215115
4-bromo-N-cycloheptylbenzamide
CID 2843132
4-bromo-N-cyclooctylbenzamide
CID 902872
4-bromo-N-[3-(2-cyclohexylethylamino)-3-oxopropyl]benzamide
CID 46400985
4-bromo-N-[2-(cyclopropylcarbamoylamino)ethyl]benzamide
CID 47322636
3-(4-bromoanilino)-N-cyclopentylpropanamide
CID 109013518
4-bromo-N-[2-[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]ethyl]benzamide;hydroiodide
CID 110959290
[2-(cyclooctylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 35643140
N-[3-(cyclohexylamino)-3-oxopropyl]-4-[(3R)-piperidin-3-yl]benzamide
CID 97200837
4-bromo-N-(2-cyclohexylethyl)benzamide
CID 63524562
N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191350

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(cyclooctylamino)-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-(cyclooctylamino)-3-oxopropyl]benzamide (CID 24635141) is 4-bromo-N-[3-(cyclooctylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-(cyclooctylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-(cyclooctylamino)-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(Br)cc1)NC1CCCCCCC1.
What is the InChIKey of 4-bromo-N-[3-(cyclooctylamino)-3-oxopropyl]benzamide?
The InChIKey is VBBMKNYPELWTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2O2/c19-15-10-8-14(9-11-15)18(23)20-13-12-17(22)21-16-6-4-2-1-3-5-7-16/h8-11,16H,1-7,12-13H2,(H,20,23)(H,21,22).
What are the key properties of 4-bromo-N-[3-(cyclooctylamino)-3-oxopropyl]benzamide?
4-bromo-N-[3-(cyclooctylamino)-3-oxopropyl]benzamide has a molecular weight of 381.31 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(cyclooctylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 24635141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).