4-bromo-2-chloro-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]benzamide

C17H21BrClN3O2 — CID 138997449

IUPAC4-bromo-2-chloro-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]benzamide
SMILESCN1CCC(N2CCC(NC(=O)c3ccc(Br)cc3Cl)CC2)C1=O
InChIInChI=1S/C17H21BrClN3O2/c1-21-7-6-15(17(21)24)22-8-4-12(5-9-22)20-16(23)13-3-2-11(18)10-14(13)19/h2-3,10,12,15H,4-9H2,1H3,(H,20,23)
InChIKeyXMTAFLZUBMLKNQ-UHFFFAOYSA-N
MW414.73 g/mol
LogP2.53
Rot. Bonds3

About 4-bromo-2-chloro-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]benzamide

4-bromo-2-chloro-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]benzamide (PubChem CID 138997449) has the molecular formula C17H21BrClN3O2 and a molecular weight of 414.73 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]benzamide
PubChem CID138997449
Molecular FormulaC17H21BrClN3O2
Molecular Weight414.73 g/mol
Exact Mass413.05
IUPAC Name4-bromo-2-chloro-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]benzamide
SMILESCN1CCC(N2CCC(NC(=O)c3ccc(Br)cc3Cl)CC2)C1=O
InChIInChI=1S/C17H21BrClN3O2/c1-21-7-6-15(17(21)24)22-8-4-12(5-9-22)20-16(23)13-3-2-11(18)10-14(13)19/h2-3,10,12,15H,4-9H2,1H3,(H,20,23)
InChIKeyXMTAFLZUBMLKNQ-UHFFFAOYSA-N
XLogP2.53
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.73
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-cyclopropyl-1-methyl-N-[1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]piperidin-4-yl]pyrazole-4-carboxamide
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4-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
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5-bromo-N-(1-tert-butylpiperidin-4-yl)-2-chlorobenzamide
CID 61034621
4-bromo-2-chloro-N-piperidin-3-ylbenzamide
CID 63321001
3,3-dimethyl-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]-2H-1-benzofuran-7-carboxamide
CID 128903269
4-bromo-2-chloro-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide
CID 112838966
cis-(1S,3R)-3-[(4-bromo-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675321
4-bromo-N-(1-methylpiperidin-4-yl)-2-sulfanylbenzamide
CID 107022653
5-bromo-2-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 65306983
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-2-chlorobenzamide;hydrochloride
CID 119459232

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]benzamide?
The IUPAC name of 4-bromo-2-chloro-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]benzamide (CID 138997449) is 4-bromo-2-chloro-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-bromo-2-chloro-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]benzamide is CN1CCC(N2CCC(NC(=O)c3ccc(Br)cc3Cl)CC2)C1=O.
What is the InChIKey of 4-bromo-2-chloro-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]benzamide?
The InChIKey is XMTAFLZUBMLKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrClN3O2/c1-21-7-6-15(17(21)24)22-8-4-12(5-9-22)20-16(23)13-3-2-11(18)10-14(13)19/h2-3,10,12,15H,4-9H2,1H3,(H,20,23).
What are the key properties of 4-bromo-2-chloro-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]benzamide?
4-bromo-2-chloro-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]benzamide has a molecular weight of 414.73 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 138997449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).