2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-4,5-difluorobenzamide

C10H11F2N3O3 — CID 114152397

IUPAC2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-4,5-difluorobenzamide
SMILESNC(=O)C(O)CNC(=O)c1cc(F)c(F)cc1N
InChIInChI=1S/C10H11F2N3O3/c11-5-1-4(7(13)2-6(5)12)10(18)15-3-8(16)9(14)17/h1-2,8,16H,3,13H2,(H2,14,17)(H,15,18)
InChIKeyOWIKCNJYUSFTTM-UHFFFAOYSA-N
MW259.21 g/mol
LogP-0.88
Rot. Bonds4

About 2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-4,5-difluorobenzamide

2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-4,5-difluorobenzamide (PubChem CID 114152397) has the molecular formula C10H11F2N3O3 and a molecular weight of 259.21 g/mol. Its IUPAC name is 2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-4,5-difluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-4,5-difluorobenzamide
PubChem CID114152397
Molecular FormulaC10H11F2N3O3
Molecular Weight259.21 g/mol
Exact Mass259.08
IUPAC Name2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-4,5-difluorobenzamide
SMILESNC(=O)C(O)CNC(=O)c1cc(F)c(F)cc1N
InChIInChI=1S/C10H11F2N3O3/c11-5-1-4(7(13)2-6(5)12)10(18)15-3-8(16)9(14)17/h1-2,8,16H,3,13H2,(H2,14,17)(H,15,18)
InChIKeyOWIKCNJYUSFTTM-UHFFFAOYSA-N
XLogP-0.88
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2,5-difluorobenzamide
CID 106165772
N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2-fluorobenzamide
CID 107261069
2-amino-4,5-difluoro-N-(4-hydroxypentyl)benzamide
CID 106118883
N-(3-amino-2-hydroxy-3-oxopropyl)-5-fluoro-2-methylbenzamide
CID 107261331
2-amino-4,5-difluoro-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 94334111
4,5-difluoro-2-[(2-hydroxy-3-methoxy-3-oxopropyl)carbamoyl]benzoic acid
CID 107214931
2-amino-4,5-difluoro-N-(4-hydroxybutan-2-yl)benzamide
CID 83177939
N-(3-amino-2-hydroxy-3-oxopropyl)-5-chloro-2-iodobenzamide
CID 107261187
N-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethylpyridazine-4-carboxamide
CID 114152443
N-(3-amino-2-hydroxy-3-oxopropyl)-2,4-dibromobenzamide
CID 106164860
2-amino-4,5-difluorobenzamide
CID 16640510
2-amino-4,5-difluoro-N-(3-methylsulfanylpropyl)benzamide
CID 63983038

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-4,5-difluorobenzamide?
The IUPAC name of 2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-4,5-difluorobenzamide (CID 114152397) is 2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-4,5-difluorobenzamide.
What is the SMILES notation for 2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-4,5-difluorobenzamide?
The canonical SMILES for 2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-4,5-difluorobenzamide is NC(=O)C(O)CNC(=O)c1cc(F)c(F)cc1N.
What is the InChIKey of 2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-4,5-difluorobenzamide?
The InChIKey is OWIKCNJYUSFTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O3/c11-5-1-4(7(13)2-6(5)12)10(18)15-3-8(16)9(14)17/h1-2,8,16H,3,13H2,(H2,14,17)(H,15,18).
What are the key properties of 2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-4,5-difluorobenzamide?
2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-4,5-difluorobenzamide has a molecular weight of 259.21 g/mol, XLogP of -0.88, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-4,5-difluorobenzamide is sourced from PubChem (CID 114152397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).