1-(2-chloro-3-fluorobenzoyl)-N-methylpiperazine-2-carboxamide

C13H15ClFN3O2 — CID 81461747

IUPAC1-(2-chloro-3-fluorobenzoyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1C(=O)c1cccc(F)c1Cl
InChIInChI=1S/C13H15ClFN3O2/c1-16-12(19)10-7-17-5-6-18(10)13(20)8-3-2-4-9(15)11(8)14/h2-4,10,17H,5-7H2,1H3,(H,16,19)
InChIKeyHDHDRWNXBQIVDV-UHFFFAOYSA-N
MW299.73 g/mol
LogP0.64
Rot. Bonds2

About 1-(2-chloro-3-fluorobenzoyl)-N-methylpiperazine-2-carboxamide

1-(2-chloro-3-fluorobenzoyl)-N-methylpiperazine-2-carboxamide (PubChem CID 81461747) has the molecular formula C13H15ClFN3O2 and a molecular weight of 299.73 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorobenzoyl)-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-3-fluorobenzoyl)-N-methylpiperazine-2-carboxamide
PubChem CID81461747
Molecular FormulaC13H15ClFN3O2
Molecular Weight299.73 g/mol
Exact Mass299.08
IUPAC Name1-(2-chloro-3-fluorobenzoyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1C(=O)c1cccc(F)c1Cl
InChIInChI=1S/C13H15ClFN3O2/c1-16-12(19)10-7-17-5-6-18(10)13(20)8-3-2-4-9(15)11(8)14/h2-4,10,17H,5-7H2,1H3,(H,16,19)
InChIKeyHDHDRWNXBQIVDV-UHFFFAOYSA-N
XLogP0.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.73
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-3-fluorobenzoyl)piperazine-2-carboxylic acid
CID 81461597
1-(4-chloro-2,5-difluorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 82772342
1-(3-hydroxy-2-methylbenzoyl)-N-methylpiperazine-2-carboxamide
CID 82830583
(2S)-1-(4-fluorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 124513939
1-(2,5-dibromothiophene-3-carbonyl)-N-methylpiperazine-2-carboxamide
CID 107963609
1-(3-bromo-4-chlorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 107990506
(2S)-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperazine-2-carboxamide
CID 124513931
1-(2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 61051030
1-(3,5-dibromobenzoyl)-N-methylpiperazine-2-carboxamide
CID 107973359
1-[3-(4-fluorophenyl)prop-2-enoyl]-N-methylpiperazine-2-carboxamide
CID 77100908
2-chloro-3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 81461356
(3-chloro-2-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82755442

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorobenzoyl)-N-methylpiperazine-2-carboxamide?
The IUPAC name of 1-(2-chloro-3-fluorobenzoyl)-N-methylpiperazine-2-carboxamide (CID 81461747) is 1-(2-chloro-3-fluorobenzoyl)-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(2-chloro-3-fluorobenzoyl)-N-methylpiperazine-2-carboxamide?
The canonical SMILES for 1-(2-chloro-3-fluorobenzoyl)-N-methylpiperazine-2-carboxamide is CNC(=O)C1CNCCN1C(=O)c1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorobenzoyl)-N-methylpiperazine-2-carboxamide?
The InChIKey is HDHDRWNXBQIVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3O2/c1-16-12(19)10-7-17-5-6-18(10)13(20)8-3-2-4-9(15)11(8)14/h2-4,10,17H,5-7H2,1H3,(H,16,19).
What are the key properties of 1-(2-chloro-3-fluorobenzoyl)-N-methylpiperazine-2-carboxamide?
1-(2-chloro-3-fluorobenzoyl)-N-methylpiperazine-2-carboxamide has a molecular weight of 299.73 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorobenzoyl)-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 81461747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).