4-bromo-N-[3-oxo-3-[propyl(pyrrolidin-3-yl)amino]propyl]benzamide;hydrochloride

C17H25BrClN3O2 — CID 119532455

IUPAC4-bromo-N-[3-oxo-3-[propyl(pyrrolidin-3-yl)amino]propyl]benzamide;hydrochloride
SMILESCCCN(C(=O)CCNC(=O)c1ccc(Br)cc1)C1CCNC1.Cl
InChIInChI=1S/C17H24BrN3O2.ClH/c1-2-11-21(15-7-9-19-12-15)16(22)8-10-20-17(23)13-3-5-14(18)6-4-13;/h3-6,15,19H,2,7-12H2,1H3,(H,20,23);1H
InChIKeyHCVMSQALIIYPDH-UHFFFAOYSA-N
MW418.76 g/mol
LogP2.59
Rot. Bonds7

About 4-bromo-N-[3-oxo-3-[propyl(pyrrolidin-3-yl)amino]propyl]benzamide;hydrochloride

4-bromo-N-[3-oxo-3-[propyl(pyrrolidin-3-yl)amino]propyl]benzamide;hydrochloride (PubChem CID 119532455) has the molecular formula C17H25BrClN3O2 and a molecular weight of 418.76 g/mol. Its IUPAC name is 4-bromo-N-[3-oxo-3-[propyl(pyrrolidin-3-yl)amino]propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-N-[3-oxo-3-[propyl(pyrrolidin-3-yl)amino]propyl]benzamide;hydrochloride
PubChem CID119532455
Molecular FormulaC17H25BrClN3O2
Molecular Weight418.76 g/mol
Exact Mass417.08
IUPAC Name4-bromo-N-[3-oxo-3-[propyl(pyrrolidin-3-yl)amino]propyl]benzamide;hydrochloride
SMILESCCCN(C(=O)CCNC(=O)c1ccc(Br)cc1)C1CCNC1.Cl
InChIInChI=1S/C17H24BrN3O2.ClH/c1-2-11-21(15-7-9-19-12-15)16(22)8-10-20-17(23)13-3-5-14(18)6-4-13;/h3-6,15,19H,2,7-12H2,1H3,(H,20,23);1H
InChIKeyHCVMSQALIIYPDH-UHFFFAOYSA-N
XLogP2.59
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.76
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
4-bromo-N-[3-[methyl(piperidin-4-yl)amino]-3-oxopropyl]benzamide
CID 119443848
5-bromo-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride
CID 119531290
4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300963
2-ethoxy-N-[4-oxo-4-[propyl(pyrrolidin-3-yl)amino]butyl]benzamide;hydrochloride
CID 119531158
N-(2-acetamidoethyl)-N'-propyl-N'-pyrrolidin-3-ylbutanediamide;hydrochloride
CID 119532735
3-(1-adamantylcarbamoylamino)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532426
3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 82177257
N-propyl-4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533288
4-(carbamoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119530230
N-propyl-N-pyrrolidin-3-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 119529985
4-(4-acetylphenoxy)-N-propyl-N-pyrrolidin-3-ylbutanamide
CID 119530249

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-oxo-3-[propyl(pyrrolidin-3-yl)amino]propyl]benzamide;hydrochloride?
The IUPAC name of 4-bromo-N-[3-oxo-3-[propyl(pyrrolidin-3-yl)amino]propyl]benzamide;hydrochloride (CID 119532455) is 4-bromo-N-[3-oxo-3-[propyl(pyrrolidin-3-yl)amino]propyl]benzamide;hydrochloride.
What is the SMILES notation for 4-bromo-N-[3-oxo-3-[propyl(pyrrolidin-3-yl)amino]propyl]benzamide;hydrochloride?
The canonical SMILES for 4-bromo-N-[3-oxo-3-[propyl(pyrrolidin-3-yl)amino]propyl]benzamide;hydrochloride is CCCN(C(=O)CCNC(=O)c1ccc(Br)cc1)C1CCNC1.Cl.
What is the InChIKey of 4-bromo-N-[3-oxo-3-[propyl(pyrrolidin-3-yl)amino]propyl]benzamide;hydrochloride?
The InChIKey is HCVMSQALIIYPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O2.ClH/c1-2-11-21(15-7-9-19-12-15)16(22)8-10-20-17(23)13-3-5-14(18)6-4-13;/h3-6,15,19H,2,7-12H2,1H3,(H,20,23);1H.
What are the key properties of 4-bromo-N-[3-oxo-3-[propyl(pyrrolidin-3-yl)amino]propyl]benzamide;hydrochloride?
4-bromo-N-[3-oxo-3-[propyl(pyrrolidin-3-yl)amino]propyl]benzamide;hydrochloride has a molecular weight of 418.76 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-oxo-3-[propyl(pyrrolidin-3-yl)amino]propyl]benzamide;hydrochloride is sourced from PubChem (CID 119532455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).