N-(3-amino-2,2-difluoropropyl)-3-bromo-5-nitrobenzamide

C10H10BrF2N3O3 — CID 114383703

IUPACN-(3-amino-2,2-difluoropropyl)-3-bromo-5-nitrobenzamide
SMILESNCC(F)(F)CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1
InChIInChI=1S/C10H10BrF2N3O3/c11-7-1-6(2-8(3-7)16(18)19)9(17)15-5-10(12,13)4-14/h1-3H,4-5,14H2,(H,15,17)
InChIKeyLPIZQEXQMLVCLF-UHFFFAOYSA-N
MW338.11 g/mol
LogP1.68
Rot. Bonds5

About N-(3-amino-2,2-difluoropropyl)-3-bromo-5-nitrobenzamide

N-(3-amino-2,2-difluoropropyl)-3-bromo-5-nitrobenzamide (PubChem CID 114383703) has the molecular formula C10H10BrF2N3O3 and a molecular weight of 338.11 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-3-bromo-5-nitrobenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-3-bromo-5-nitrobenzamide
PubChem CID114383703
Molecular FormulaC10H10BrF2N3O3
Molecular Weight338.11 g/mol
Exact Mass336.99
IUPAC NameN-(3-amino-2,2-difluoropropyl)-3-bromo-5-nitrobenzamide
SMILESNCC(F)(F)CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1
InChIInChI=1S/C10H10BrF2N3O3/c11-7-1-6(2-8(3-7)16(18)19)9(17)15-5-10(12,13)4-14/h1-3H,4-5,14H2,(H,15,17)
InChIKeyLPIZQEXQMLVCLF-UHFFFAOYSA-N
XLogP1.68
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.11
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(4-chloro-2,2-dimethylbutyl)-5-nitrobenzamide
CID 106142912
N-(2,2-difluoro-3-hydroxypropyl)-3-methyl-5-nitrobenzamide
CID 104857171
3-bromo-N-[(2R)-2-hydroxypropyl]-5-nitrobenzamide
CID 83032262
3-bromo-N-(6-hydroxyhexyl)-5-nitrobenzamide
CID 103919327
ethyl 3-nitro-5-(2,2,2-trifluoroethylcarbamoyl)benzoate
CID 43008403
3-bromo-N-(2-chlorobutyl)-5-nitrobenzamide
CID 113492849
3-bromo-N-cyclopropyl-5-nitrobenzamide
CID 26369865
3-bromo-N-hex-5-ynyl-5-nitrobenzamide
CID 113267943
3-nitro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65374277
N-[2-[(3,5-dinitrobenzoyl)amino]ethyl]-3,5-dinitrobenzamide
CID 4600343
3-amino-5-bromo-N-(2,2-difluoro-3-hydroxypropyl)benzamide
CID 114152440
N-(3-amino-2,2-difluoropropyl)-4-methoxy-3-nitrobenzamide
CID 114383455

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-3-bromo-5-nitrobenzamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-3-bromo-5-nitrobenzamide (CID 114383703) is N-(3-amino-2,2-difluoropropyl)-3-bromo-5-nitrobenzamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-3-bromo-5-nitrobenzamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-3-bromo-5-nitrobenzamide is NCC(F)(F)CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-3-bromo-5-nitrobenzamide?
The InChIKey is LPIZQEXQMLVCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2N3O3/c11-7-1-6(2-8(3-7)16(18)19)9(17)15-5-10(12,13)4-14/h1-3H,4-5,14H2,(H,15,17).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-3-bromo-5-nitrobenzamide?
N-(3-amino-2,2-difluoropropyl)-3-bromo-5-nitrobenzamide has a molecular weight of 338.11 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-3-bromo-5-nitrobenzamide is sourced from PubChem (CID 114383703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).