[4-(2-anilinobenzoyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone

C24H21F2N3O2 — CID 46399270

IUPAC[4-(2-anilinobenzoyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1
InChIInChI=1S/C24H21F2N3O2/c25-20-11-10-17(16-21(20)26)23(30)28-12-14-29(15-13-28)24(31)19-8-4-5-9-22(19)27-18-6-2-1-3-7-18/h1-11,16,27H,12-15H2
InChIKeyBFKPWWGIGHHVIW-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.31
Rot. Bonds4

About [4-(2-anilinobenzoyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone

[4-(2-anilinobenzoyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone (PubChem CID 46399270) has the molecular formula C24H21F2N3O2 and a molecular weight of 421.45 g/mol. Its IUPAC name is [4-(2-anilinobenzoyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-(2-anilinobenzoyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
PubChem CID46399270
Molecular FormulaC24H21F2N3O2
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name[4-(2-anilinobenzoyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1
InChIInChI=1S/C24H21F2N3O2/c25-20-11-10-17(16-21(20)26)23(30)28-12-14-29(15-13-28)24(31)19-8-4-5-9-22(19)27-18-6-2-1-3-7-18/h1-11,16,27H,12-15H2
InChIKeyBFKPWWGIGHHVIW-UHFFFAOYSA-N
XLogP4.31
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-anilinophenyl)-(azepan-1-yl)methanone
CID 25352843
(3,4-difluorophenyl)-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
CID 46424509
(4-fluorophenyl)-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]methanone
CID 46472653
[4-[2-[4-(difluoromethylsulfanyl)anilino]benzoyl]piperazin-1-yl]-phenylmethanone
CID 112792151
(4-aminopiperidin-1-yl)-(2-anilinophenyl)methanone
CID 119373306
ethyl 4-(2-anilinobenzoyl)piperazine-1-carboxylate
CID 25344409
(2-anilinophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 112843416
(2-anilino-5-chlorophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 22330413
(3,4-difluorophenyl)-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
CID 113081265
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
N-[2-[4-(3,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]benzamide
CID 32644263
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide
CID 51307935

Frequently Asked Questions

What is the IUPAC name of [4-(2-anilinobenzoyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone?
The IUPAC name of [4-(2-anilinobenzoyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone (CID 46399270) is [4-(2-anilinobenzoyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone.
What is the SMILES notation for [4-(2-anilinobenzoyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone?
The canonical SMILES for [4-(2-anilinobenzoyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone is O=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1.
What is the InChIKey of [4-(2-anilinobenzoyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone?
The InChIKey is BFKPWWGIGHHVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O2/c25-20-11-10-17(16-21(20)26)23(30)28-12-14-29(15-13-28)24(31)19-8-4-5-9-22(19)27-18-6-2-1-3-7-18/h1-11,16,27H,12-15H2.
What are the key properties of [4-(2-anilinobenzoyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone?
[4-(2-anilinobenzoyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone has a molecular weight of 421.45 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-anilinobenzoyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone is sourced from PubChem (CID 46399270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).