2,4-difluoro-5-[(2-piperazin-1-ylacetyl)amino]benzamide

C13H16F2N4O2 — CID 60849658

IUPAC2,4-difluoro-5-[(2-piperazin-1-ylacetyl)amino]benzamide
SMILESNC(=O)c1cc(NC(=O)CN2CCNCC2)c(F)cc1F
InChIInChI=1S/C13H16F2N4O2/c14-9-6-10(15)11(5-8(9)13(16)21)18-12(20)7-19-3-1-17-2-4-19/h5-6,17H,1-4,7H2,(H2,16,21)(H,18,20)
InChIKeyFAJRQHTXUIMDKS-UHFFFAOYSA-N
MW298.29 g/mol
LogP-0.09
Rot. Bonds4

About 2,4-difluoro-5-[(2-piperazin-1-ylacetyl)amino]benzamide

2,4-difluoro-5-[(2-piperazin-1-ylacetyl)amino]benzamide (PubChem CID 60849658) has the molecular formula C13H16F2N4O2 and a molecular weight of 298.29 g/mol. Its IUPAC name is 2,4-difluoro-5-[(2-piperazin-1-ylacetyl)amino]benzamide.

Molecular Properties

Compound Name2,4-difluoro-5-[(2-piperazin-1-ylacetyl)amino]benzamide
PubChem CID60849658
Molecular FormulaC13H16F2N4O2
Molecular Weight298.29 g/mol
Exact Mass298.12
IUPAC Name2,4-difluoro-5-[(2-piperazin-1-ylacetyl)amino]benzamide
SMILESNC(=O)c1cc(NC(=O)CN2CCNCC2)c(F)cc1F
InChIInChI=1S/C13H16F2N4O2/c14-9-6-10(15)11(5-8(9)13(16)21)18-12(20)7-19-3-1-17-2-4-19/h5-6,17H,1-4,7H2,(H2,16,21)(H,18,20)
InChIKeyFAJRQHTXUIMDKS-UHFFFAOYSA-N
XLogP-0.09
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(2,5-difluoro-4-methylphenyl)acetamide
CID 103585983
5-[(2-aminoacetyl)amino]-2,4-difluorobenzamide
CID 43699282
4-fluoro-2-[(2-piperazin-1-ylacetyl)amino]benzoic acid
CID 61157931
N-(3-acetamido-4-fluorophenyl)-2-piperazin-1-ylacetamide
CID 60928545
4-(5-carbamoyl-2,4-difluoroanilino)-4-oxobutanoic acid
CID 54868061
5-(5-carbamoyl-2,4-difluoroanilino)-5-oxopentanoic acid
CID 60942030
2-(1,4-diazepan-1-yl)-N-(2-fluoro-4-nitrophenyl)acetamide
CID 62833639
2-(1,4-diazepan-1-yl)-N-(2-fluoro-5-nitrophenyl)acetamide
CID 62839860
2-(1,4-diazepan-1-yl)-N-(2,4-dichlorophenyl)acetamide
CID 55122695
2-[[2-(1,4-diazepan-1-yl)acetyl]amino]-5-hydroxybenzoic acid
CID 62839797
ethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide
CID 142082017
N-(5-chloro-2-pyridinyl)-2-piperazin-1-ylacetamide
CID 28881141

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[(2-piperazin-1-ylacetyl)amino]benzamide?
The IUPAC name of 2,4-difluoro-5-[(2-piperazin-1-ylacetyl)amino]benzamide (CID 60849658) is 2,4-difluoro-5-[(2-piperazin-1-ylacetyl)amino]benzamide.
What is the SMILES notation for 2,4-difluoro-5-[(2-piperazin-1-ylacetyl)amino]benzamide?
The canonical SMILES for 2,4-difluoro-5-[(2-piperazin-1-ylacetyl)amino]benzamide is NC(=O)c1cc(NC(=O)CN2CCNCC2)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-[(2-piperazin-1-ylacetyl)amino]benzamide?
The InChIKey is FAJRQHTXUIMDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4O2/c14-9-6-10(15)11(5-8(9)13(16)21)18-12(20)7-19-3-1-17-2-4-19/h5-6,17H,1-4,7H2,(H2,16,21)(H,18,20).
What are the key properties of 2,4-difluoro-5-[(2-piperazin-1-ylacetyl)amino]benzamide?
2,4-difluoro-5-[(2-piperazin-1-ylacetyl)amino]benzamide has a molecular weight of 298.29 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[(2-piperazin-1-ylacetyl)amino]benzamide is sourced from PubChem (CID 60849658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).