5-[(2-aminoacetyl)amino]-2,4-difluorobenzamide

C9H9F2N3O2 — CID 43699282

IUPAC5-[(2-aminoacetyl)amino]-2,4-difluorobenzamide
SMILESNCC(=O)Nc1cc(C(N)=O)c(F)cc1F
InChIInChI=1S/C9H9F2N3O2/c10-5-2-6(11)7(14-8(15)3-12)1-4(5)9(13)16/h1-2H,3,12H2,(H2,13,16)(H,14,15)
InChIKeyYXJLBENVLAYAMQ-UHFFFAOYSA-N
MW229.19 g/mol
LogP-0.04
Rot. Bonds3

About 5-[(2-aminoacetyl)amino]-2,4-difluorobenzamide

5-[(2-aminoacetyl)amino]-2,4-difluorobenzamide (PubChem CID 43699282) has the molecular formula C9H9F2N3O2 and a molecular weight of 229.19 g/mol. Its IUPAC name is 5-[(2-aminoacetyl)amino]-2,4-difluorobenzamide.

Molecular Properties

Compound Name5-[(2-aminoacetyl)amino]-2,4-difluorobenzamide
PubChem CID43699282
Molecular FormulaC9H9F2N3O2
Molecular Weight229.19 g/mol
Exact Mass229.07
IUPAC Name5-[(2-aminoacetyl)amino]-2,4-difluorobenzamide
SMILESNCC(=O)Nc1cc(C(N)=O)c(F)cc1F
InChIInChI=1S/C9H9F2N3O2/c10-5-2-6(11)7(14-8(15)3-12)1-4(5)9(13)16/h1-2H,3,12H2,(H2,13,16)(H,14,15)
InChIKeyYXJLBENVLAYAMQ-UHFFFAOYSA-N
XLogP-0.04
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-carbamoyl-2,4-difluoroanilino)-4-oxobutanoic acid
CID 54868061
5-(5-carbamoyl-2,4-difluoroanilino)-5-oxopentanoic acid
CID 60942030
5-[[2-(1-aminocyclobutyl)acetyl]amino]-2,4-difluorobenzamide
CID 79851357
5-(5-aminohexanoylamino)-2,4-difluorobenzamide
CID 82848894
3-[(2-aminoacetyl)amino]-4-fluorobenzamide
CID 43706066
2,4-difluoro-5-[(2-piperazin-1-ylacetyl)amino]benzamide
CID 60849658
5-(but-2-enoylamino)-2,4-difluorobenzamide
CID 78952252
5-(4-aminobutanoylamino)-2,4-difluorobenzoic acid
CID 43696525
3-amino-4-(5-carbamoyl-2,4-difluoroanilino)-4-oxobutanoic acid
CID 64897236
2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)acetamide
CID 119320405
2,4-difluoro-5-(sulfamoylamino)benzamide
CID 112573250
5-(6-aminohexanoylamino)-2,4-difluorobenzoic acid
CID 43696510

Frequently Asked Questions

What is the IUPAC name of 5-[(2-aminoacetyl)amino]-2,4-difluorobenzamide?
The IUPAC name of 5-[(2-aminoacetyl)amino]-2,4-difluorobenzamide (CID 43699282) is 5-[(2-aminoacetyl)amino]-2,4-difluorobenzamide.
What is the SMILES notation for 5-[(2-aminoacetyl)amino]-2,4-difluorobenzamide?
The canonical SMILES for 5-[(2-aminoacetyl)amino]-2,4-difluorobenzamide is NCC(=O)Nc1cc(C(N)=O)c(F)cc1F.
What is the InChIKey of 5-[(2-aminoacetyl)amino]-2,4-difluorobenzamide?
The InChIKey is YXJLBENVLAYAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O2/c10-5-2-6(11)7(14-8(15)3-12)1-4(5)9(13)16/h1-2H,3,12H2,(H2,13,16)(H,14,15).
What are the key properties of 5-[(2-aminoacetyl)amino]-2,4-difluorobenzamide?
5-[(2-aminoacetyl)amino]-2,4-difluorobenzamide has a molecular weight of 229.19 g/mol, XLogP of -0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-aminoacetyl)amino]-2,4-difluorobenzamide is sourced from PubChem (CID 43699282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).