N-(3,4-difluorophenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide

C20H21F2N3O2 — CID 109046325

IUPACN-(3,4-difluorophenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide
SMILESCCN1CCN(C(=O)c2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)CC1
InChIInChI=1S/C20H21F2N3O2/c1-2-24-9-11-25(12-10-24)20(27)15-5-3-14(4-6-15)19(26)23-16-7-8-17(21)18(22)13-16/h3-8,13H,2,9-12H2,1H3,(H,23,26)
InChIKeyDDZPJVDLTYJHKQ-UHFFFAOYSA-N
MW373.40 g/mol
LogP2.99
Rot. Bonds4

About N-(3,4-difluorophenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide

N-(3,4-difluorophenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide (PubChem CID 109046325) has the molecular formula C20H21F2N3O2 and a molecular weight of 373.40 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide
PubChem CID109046325
Molecular FormulaC20H21F2N3O2
Molecular Weight373.40 g/mol
Exact Mass373.16
IUPAC NameN-(3,4-difluorophenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide
SMILESCCN1CCN(C(=O)c2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)CC1
InChIInChI=1S/C20H21F2N3O2/c1-2-24-9-11-25(12-10-24)20(27)15-5-3-14(4-6-15)19(26)23-16-7-8-17(21)18(22)13-16/h3-8,13H,2,9-12H2,1H3,(H,23,26)
InChIKeyDDZPJVDLTYJHKQ-UHFFFAOYSA-N
XLogP2.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide
CID 109046298
N-(3,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109049038
5-(4-acetylpiperazine-1-carbonyl)-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 109104830
N-(3,4-difluorophenyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 55839650
(3-bromo-4-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 67385652
(3-amino-4-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 39354170
N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 136579947
N-(3,4-difluorophenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104531
[5-(3,4-difluoroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109186753
4-(3,5-dioxo-1,2,4-triazolidin-1-yl)-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide
CID 166199982
(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 2422199
1-N-(3,4-difluorophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048473

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide (CID 109046325) is N-(3,4-difluorophenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide is CCN1CCN(C(=O)c2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2)CC1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide?
The InChIKey is DDZPJVDLTYJHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O2/c1-2-24-9-11-25(12-10-24)20(27)15-5-3-14(4-6-15)19(26)23-16-7-8-17(21)18(22)13-16/h3-8,13H,2,9-12H2,1H3,(H,23,26).
What are the key properties of N-(3,4-difluorophenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide?
N-(3,4-difluorophenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide has a molecular weight of 373.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide is sourced from PubChem (CID 109046325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).