2-[(3-amino-2,6-difluorobenzoyl)amino]ethyl carbamate

C10H11F2N3O3 — CID 83202374

IUPAC2-[(3-amino-2,6-difluorobenzoyl)amino]ethyl carbamate
SMILESNC(=O)OCCNC(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C10H11F2N3O3/c11-5-1-2-6(13)8(12)7(5)9(16)15-3-4-18-10(14)17/h1-2H,3-4,13H2,(H2,14,17)(H,15,16)
InChIKeyVOCIGIOFXWRIDL-UHFFFAOYSA-N
MW259.21 g/mol
LogP0.37
Rot. Bonds4

About 2-[(3-amino-2,6-difluorobenzoyl)amino]ethyl carbamate

2-[(3-amino-2,6-difluorobenzoyl)amino]ethyl carbamate (PubChem CID 83202374) has the molecular formula C10H11F2N3O3 and a molecular weight of 259.21 g/mol. Its IUPAC name is 2-[(3-amino-2,6-difluorobenzoyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(3-amino-2,6-difluorobenzoyl)amino]ethyl carbamate
PubChem CID83202374
Molecular FormulaC10H11F2N3O3
Molecular Weight259.21 g/mol
Exact Mass259.08
IUPAC Name2-[(3-amino-2,6-difluorobenzoyl)amino]ethyl carbamate
SMILESNC(=O)OCCNC(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C10H11F2N3O3/c11-5-1-2-6(13)8(12)7(5)9(16)15-3-4-18-10(14)17/h1-2H,3-4,13H2,(H2,14,17)(H,15,16)
InChIKeyVOCIGIOFXWRIDL-UHFFFAOYSA-N
XLogP0.37
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 79773667
3-amino-N-(3-amino-3-oxopropyl)-2,6-difluorobenzamide
CID 79772736
3-amino-2,6-difluoro-N-(3-hydroxypropyl)benzamide
CID 79773787
3-amino-2,6-difluoro-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 106308320
3-amino-N-[2-[ethyl(methyl)amino]ethyl]-2,6-difluorobenzamide
CID 79772967
2-[(2-amino-5-bromobenzoyl)amino]ethyl carbamate
CID 83203569
3-amino-2,6-difluoro-N-(7-methyloctyl)benzamide
CID 107814586
3-amino-N-(cyclohexylmethyl)-2,6-difluorobenzamide
CID 79773789
3-amino-2,6-difluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 79773779
3-amino-2,6-difluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79772907
2-[(4-bromo-2-fluorobenzoyl)amino]ethyl carbamate
CID 83204466
3-amino-2,6-difluoro-N-[(1-methylcyclopropyl)methyl]benzamide
CID 114098972

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,6-difluorobenzoyl)amino]ethyl carbamate?
The IUPAC name of 2-[(3-amino-2,6-difluorobenzoyl)amino]ethyl carbamate (CID 83202374) is 2-[(3-amino-2,6-difluorobenzoyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(3-amino-2,6-difluorobenzoyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(3-amino-2,6-difluorobenzoyl)amino]ethyl carbamate is NC(=O)OCCNC(=O)c1c(F)ccc(N)c1F.
What is the InChIKey of 2-[(3-amino-2,6-difluorobenzoyl)amino]ethyl carbamate?
The InChIKey is VOCIGIOFXWRIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O3/c11-5-1-2-6(13)8(12)7(5)9(16)15-3-4-18-10(14)17/h1-2H,3-4,13H2,(H2,14,17)(H,15,16).
What are the key properties of 2-[(3-amino-2,6-difluorobenzoyl)amino]ethyl carbamate?
2-[(3-amino-2,6-difluorobenzoyl)amino]ethyl carbamate has a molecular weight of 259.21 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,6-difluorobenzoyl)amino]ethyl carbamate is sourced from PubChem (CID 83202374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).