N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4,5-difluoro-2-nitrobenzamide

C11H9ClF4N2O3 — CID 107490960

IUPACN-(2-chloroethyl)-N-(2,2-difluoroethyl)-4,5-difluoro-2-nitrobenzamide
SMILESO=C(c1cc(F)c(F)cc1[N+](=O)[O-])N(CCCl)CC(F)F
InChIInChI=1S/C11H9ClF4N2O3/c12-1-2-17(5-10(15)16)11(19)6-3-7(13)8(14)4-9(6)18(20)21/h3-4,10H,1-2,5H2
InChIKeyLTLUZMFLXWVFFP-UHFFFAOYSA-N
MW328.65 g/mol
LogP2.82
Rot. Bonds6

About N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4,5-difluoro-2-nitrobenzamide

N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4,5-difluoro-2-nitrobenzamide (PubChem CID 107490960) has the molecular formula C11H9ClF4N2O3 and a molecular weight of 328.65 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4,5-difluoro-2-nitrobenzamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-4,5-difluoro-2-nitrobenzamide
PubChem CID107490960
Molecular FormulaC11H9ClF4N2O3
Molecular Weight328.65 g/mol
Exact Mass328.02
IUPAC NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-4,5-difluoro-2-nitrobenzamide
SMILESO=C(c1cc(F)c(F)cc1[N+](=O)[O-])N(CCCl)CC(F)F
InChIInChI=1S/C11H9ClF4N2O3/c12-1-2-17(5-10(15)16)11(19)6-3-7(13)8(14)4-9(6)18(20)21/h3-4,10H,1-2,5H2
InChIKeyLTLUZMFLXWVFFP-UHFFFAOYSA-N
XLogP2.82
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.65
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4,5-difluoro-2-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methyl-3-nitrobenzamide
CID 107490874
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 107490909
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,5-dimethylfuran-3-carboxamide
CID 107491208
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methylsulfanylbenzamide
CID 107490901
3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-fluorobenzamide
CID 114020515
N-(2,2-difluoroethyl)-2,6-difluoro-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 107479182
2,4-dichloro-N-(2,2-difluoroethyl)-5-fluoro-N-(2-hydroxyethyl)benzamide
CID 107483219
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluorobenzamide
CID 107491097
2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 107485996
N-butyl-4-chloro-N-(2-chloroethyl)-2-nitrobenzamide
CID 63391034
4,5-difluoro-N-(3-methoxypropyl)-N-methyl-2-nitrobenzamide
CID 63008756
N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 107486313

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4,5-difluoro-2-nitrobenzamide?
The IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4,5-difluoro-2-nitrobenzamide (CID 107490960) is N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4,5-difluoro-2-nitrobenzamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4,5-difluoro-2-nitrobenzamide?
The canonical SMILES for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4,5-difluoro-2-nitrobenzamide is O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N(CCCl)CC(F)F.
What is the InChIKey of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4,5-difluoro-2-nitrobenzamide?
The InChIKey is LTLUZMFLXWVFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF4N2O3/c12-1-2-17(5-10(15)16)11(19)6-3-7(13)8(14)4-9(6)18(20)21/h3-4,10H,1-2,5H2.
What are the key properties of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4,5-difluoro-2-nitrobenzamide?
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4,5-difluoro-2-nitrobenzamide has a molecular weight of 328.65 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4,5-difluoro-2-nitrobenzamide is sourced from PubChem (CID 107490960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).