N-(2,2-difluoroethyl)-2,6-difluoro-N-(2-hydroxyethyl)-3-nitrobenzamide

C11H10F4N2O4 — CID 107479182

IUPACN-(2,2-difluoroethyl)-2,6-difluoro-N-(2-hydroxyethyl)-3-nitrobenzamide
SMILESO=C(c1c(F)ccc([N+](=O)[O-])c1F)N(CCO)CC(F)F
InChIInChI=1S/C11H10F4N2O4/c12-6-1-2-7(17(20)21)10(15)9(6)11(19)16(3-4-18)5-8(13)14/h1-2,8,18H,3-5H2
InChIKeyMRHWEHHMZUPVHM-UHFFFAOYSA-N
MW310.20 g/mol
LogP1.57
Rot. Bonds6

About N-(2,2-difluoroethyl)-2,6-difluoro-N-(2-hydroxyethyl)-3-nitrobenzamide

N-(2,2-difluoroethyl)-2,6-difluoro-N-(2-hydroxyethyl)-3-nitrobenzamide (PubChem CID 107479182) has the molecular formula C11H10F4N2O4 and a molecular weight of 310.20 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2,6-difluoro-N-(2-hydroxyethyl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2,6-difluoro-N-(2-hydroxyethyl)-3-nitrobenzamide
PubChem CID107479182
Molecular FormulaC11H10F4N2O4
Molecular Weight310.20 g/mol
Exact Mass310.06
IUPAC NameN-(2,2-difluoroethyl)-2,6-difluoro-N-(2-hydroxyethyl)-3-nitrobenzamide
SMILESO=C(c1c(F)ccc([N+](=O)[O-])c1F)N(CCO)CC(F)F
InChIInChI=1S/C11H10F4N2O4/c12-6-1-2-7(17(20)21)10(15)9(6)11(19)16(3-4-18)5-8(13)14/h1-2,8,18H,3-5H2
InChIKeyMRHWEHHMZUPVHM-UHFFFAOYSA-N
XLogP1.57
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 51.57
H-Bond Donors ≤ 51
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

2,6-difluoro-N-(2-hydroxyethyl)-N-methyl-3-nitrobenzamide
CID 79773192
N-ethyl-2,6-difluoro-3-nitro-N-propylbenzamide
CID 113252601
N-butyl-N-ethyl-2,6-difluoro-3-nitrobenzamide
CID 103740005
2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 107485996
2,6-difluoro-N-methyl-3-nitro-N-propylbenzamide
CID 113252560
2-bromo-N-(2,2-difluoroethyl)-6-fluoro-N-(2-hydroxyethyl)benzamide
CID 107479991
N-ethyl-2,6-difluoro-3-nitro-N-prop-2-enylbenzamide
CID 103740637
N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 107486313
N-(1-chloropropan-2-yl)-2,6-difluoro-N-methyl-3-nitrobenzamide
CID 113426443
2-[(2,6-difluoro-3-nitrobenzoyl)-prop-2-enylamino]acetic acid
CID 79758475
N-(3-bromopropyl)-2,6-difluoro-N-methyl-3-nitrobenzamide
CID 106441102
N-(2,2-difluoroethyl)-3,4,5-trifluoro-N-(2-hydroxyethyl)benzamide
CID 107479214

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2,6-difluoro-N-(2-hydroxyethyl)-3-nitrobenzamide?
The IUPAC name of N-(2,2-difluoroethyl)-2,6-difluoro-N-(2-hydroxyethyl)-3-nitrobenzamide (CID 107479182) is N-(2,2-difluoroethyl)-2,6-difluoro-N-(2-hydroxyethyl)-3-nitrobenzamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2,6-difluoro-N-(2-hydroxyethyl)-3-nitrobenzamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2,6-difluoro-N-(2-hydroxyethyl)-3-nitrobenzamide is O=C(c1c(F)ccc([N+](=O)[O-])c1F)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-2,6-difluoro-N-(2-hydroxyethyl)-3-nitrobenzamide?
The InChIKey is MRHWEHHMZUPVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4N2O4/c12-6-1-2-7(17(20)21)10(15)9(6)11(19)16(3-4-18)5-8(13)14/h1-2,8,18H,3-5H2.
What are the key properties of N-(2,2-difluoroethyl)-2,6-difluoro-N-(2-hydroxyethyl)-3-nitrobenzamide?
N-(2,2-difluoroethyl)-2,6-difluoro-N-(2-hydroxyethyl)-3-nitrobenzamide has a molecular weight of 310.20 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2,6-difluoro-N-(2-hydroxyethyl)-3-nitrobenzamide is sourced from PubChem (CID 107479182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).