1-(3-bromo-4-chlorobenzoyl)-N-methylpiperazine-2-carboxamide

C13H15BrClN3O2 — CID 107990506

IUPAC1-(3-bromo-4-chlorobenzoyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1C(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H15BrClN3O2/c1-16-12(19)11-7-17-4-5-18(11)13(20)8-2-3-10(15)9(14)6-8/h2-3,6,11,17H,4-5,7H2,1H3,(H,16,19)
InChIKeyGWNNVHDAONRQBZ-UHFFFAOYSA-N
MW360.64 g/mol
LogP1.26
Rot. Bonds2

About 1-(3-bromo-4-chlorobenzoyl)-N-methylpiperazine-2-carboxamide

1-(3-bromo-4-chlorobenzoyl)-N-methylpiperazine-2-carboxamide (PubChem CID 107990506) has the molecular formula C13H15BrClN3O2 and a molecular weight of 360.64 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorobenzoyl)-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(3-bromo-4-chlorobenzoyl)-N-methylpiperazine-2-carboxamide
PubChem CID107990506
Molecular FormulaC13H15BrClN3O2
Molecular Weight360.64 g/mol
Exact Mass359.00
IUPAC Name1-(3-bromo-4-chlorobenzoyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1C(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H15BrClN3O2/c1-16-12(19)11-7-17-4-5-18(11)13(20)8-2-3-10(15)9(14)6-8/h2-3,6,11,17H,4-5,7H2,1H3,(H,16,19)
InChIKeyGWNNVHDAONRQBZ-UHFFFAOYSA-N
XLogP1.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.64
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dibromobenzoyl)-N-methylpiperazine-2-carboxamide
CID 107973359
(2S)-1-(4-fluorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 124513939
1-(3-bromo-5-methylbenzoyl)-N-methylpiperazine-2-carboxamide
CID 115999662
1-(4-chloro-3-fluorobenzoyl)-N-ethylpiperazine-2-carboxamide
CID 107990513
1-(4-chloro-2,5-difluorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 82772342
1-(2,5-dibromothiophene-3-carbonyl)-N-methylpiperazine-2-carboxamide
CID 107963609
1-(2-chloro-3-fluorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 81461747
1-(3-hydroxy-2-methylbenzoyl)-N-methylpiperazine-2-carboxamide
CID 82830583
1-acetyl-N-methylpiperazine-2-carboxamide;hydrochloride
CID 171688200
(3-bromo-4-chlorophenyl)-(2-methylpiperidin-1-yl)methanone
CID 103841523
(3-bromo-4-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 102612021
(3-bromo-4-methoxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705661

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorobenzoyl)-N-methylpiperazine-2-carboxamide?
The IUPAC name of 1-(3-bromo-4-chlorobenzoyl)-N-methylpiperazine-2-carboxamide (CID 107990506) is 1-(3-bromo-4-chlorobenzoyl)-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(3-bromo-4-chlorobenzoyl)-N-methylpiperazine-2-carboxamide?
The canonical SMILES for 1-(3-bromo-4-chlorobenzoyl)-N-methylpiperazine-2-carboxamide is CNC(=O)C1CNCCN1C(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-chlorobenzoyl)-N-methylpiperazine-2-carboxamide?
The InChIKey is GWNNVHDAONRQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3O2/c1-16-12(19)11-7-17-4-5-18(11)13(20)8-2-3-10(15)9(14)6-8/h2-3,6,11,17H,4-5,7H2,1H3,(H,16,19).
What are the key properties of 1-(3-bromo-4-chlorobenzoyl)-N-methylpiperazine-2-carboxamide?
1-(3-bromo-4-chlorobenzoyl)-N-methylpiperazine-2-carboxamide has a molecular weight of 360.64 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorobenzoyl)-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 107990506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).