2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide

C19H19F2N3O2 — CID 51307935

IUPAC2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide
SMILESNC(=O)C(c1ccccc1)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C19H19F2N3O2/c20-15-7-6-14(12-16(15)21)19(26)24-10-8-23(9-11-24)17(18(22)25)13-4-2-1-3-5-13/h1-7,12,17H,8-11H2,(H2,22,25)
InChIKeyIDULZNQWIYTAKC-UHFFFAOYSA-N
MW359.38 g/mol
LogP1.95
Rot. Bonds4

About 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide

2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide (PubChem CID 51307935) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide
PubChem CID51307935
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide
SMILESNC(=O)C(c1ccccc1)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C19H19F2N3O2/c20-15-7-6-14(12-16(15)21)19(26)24-10-8-23(9-11-24)17(18(22)25)13-4-2-1-3-5-13/h1-7,12,17H,8-11H2,(H2,22,25)
InChIKeyIDULZNQWIYTAKC-UHFFFAOYSA-N
XLogP1.95
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]propanamide
CID 110750479
2-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide
CID 69403152
2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-phenylacetamide
CID 51297445
(2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-phenylacetamide
CID 34955258
ethyl 2-(4-chlorophenyl)-2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]acetate
CID 24560558
(2S)-2-(4-benzoyl-1,4-diazepan-1-yl)-2-(4-fluorophenyl)acetamide
CID 30807703
(2R)-2-(4-acetylpiperazin-1-yl)-2-phenylacetamide
CID 51908871
2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-phenylacetamide
CID 46568132
(3,4-difluorophenyl)-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
CID 113081265
(3,4-difluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334310
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethanethioamide
CID 63336063
2-(azocan-1-yl)-2-phenylacetamide
CID 42889497

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide (CID 51307935) is 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide is NC(=O)C(c1ccccc1)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide?
The InChIKey is IDULZNQWIYTAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c20-15-7-6-14(12-16(15)21)19(26)24-10-8-23(9-11-24)17(18(22)25)13-4-2-1-3-5-13/h1-7,12,17H,8-11H2,(H2,22,25).
What are the key properties of 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide?
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide has a molecular weight of 359.38 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 51307935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).