4-(2-chloro-6-fluorobenzoyl)-N-propylpiperazine-1-carboxamide

C15H19ClFN3O2 — CID 110365561

IUPAC4-(2-chloro-6-fluorobenzoyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C15H19ClFN3O2/c1-2-6-18-15(22)20-9-7-19(8-10-20)14(21)13-11(16)4-3-5-12(13)17/h3-5H,2,6-10H2,1H3,(H,18,22)
InChIKeyFNGOQYLQOCDDCH-UHFFFAOYSA-N
MW327.79 g/mol
LogP2.36
Rot. Bonds3

About 4-(2-chloro-6-fluorobenzoyl)-N-propylpiperazine-1-carboxamide

4-(2-chloro-6-fluorobenzoyl)-N-propylpiperazine-1-carboxamide (PubChem CID 110365561) has the molecular formula C15H19ClFN3O2 and a molecular weight of 327.79 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorobenzoyl)-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-chloro-6-fluorobenzoyl)-N-propylpiperazine-1-carboxamide
PubChem CID110365561
Molecular FormulaC15H19ClFN3O2
Molecular Weight327.79 g/mol
Exact Mass327.11
IUPAC Name4-(2-chloro-6-fluorobenzoyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C15H19ClFN3O2/c1-2-6-18-15(22)20-9-7-19(8-10-20)14(21)13-11(16)4-3-5-12(13)17/h3-5H,2,6-10H2,1H3,(H,18,22)
InChIKeyFNGOQYLQOCDDCH-UHFFFAOYSA-N
XLogP2.36
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

butyl 4-(2-chloro-6-fluorobenzoyl)piperazine-1-carboxylate
CID 108570281
(4-tert-butylpiperazin-1-yl)-(2-chloro-6-fluorophenyl)methanone
CID 113074834
(2-chloro-6-fluorophenyl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone
CID 113075915
2-amino-1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]ethanone;hydrochloride
CID 119307920
N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]propanamide
CID 110821572
(2-chloro-6-fluorophenyl)-[4-(2,6-dimethylphenyl)piperazin-1-yl]methanone
CID 113075723
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone
CID 108536557
[4-(2-chloro-6-fluorobenzoyl)-1,4-diazepan-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 108544564
4-(2,4-difluorobenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812532
(2-chloro-6-fluorophenyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 139023381
1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 110818429
(2-chloro-6-fluorophenyl)-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 36944785

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorobenzoyl)-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-chloro-6-fluorobenzoyl)-N-propylpiperazine-1-carboxamide (CID 110365561) is 4-(2-chloro-6-fluorobenzoyl)-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-chloro-6-fluorobenzoyl)-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-chloro-6-fluorobenzoyl)-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1.
What is the InChIKey of 4-(2-chloro-6-fluorobenzoyl)-N-propylpiperazine-1-carboxamide?
The InChIKey is FNGOQYLQOCDDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3O2/c1-2-6-18-15(22)20-9-7-19(8-10-20)14(21)13-11(16)4-3-5-12(13)17/h3-5H,2,6-10H2,1H3,(H,18,22).
What are the key properties of 4-(2-chloro-6-fluorobenzoyl)-N-propylpiperazine-1-carboxamide?
4-(2-chloro-6-fluorobenzoyl)-N-propylpiperazine-1-carboxamide has a molecular weight of 327.79 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorobenzoyl)-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 110365561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).