4-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide

C10H7ClF4N2O3 — CID 103577982

IUPAC4-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide
SMILESO=C(NCC(F)(F)C(F)F)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C10H7ClF4N2O3/c11-6-2-1-5(3-7(6)17(19)20)8(18)16-4-10(14,15)9(12)13/h1-3,9H,4H2,(H,16,18)
InChIKeyFGGMNRVLTKXWFD-UHFFFAOYSA-N
MW314.62 g/mol
LogP2.88
Rot. Bonds5

About 4-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide

4-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide (PubChem CID 103577982) has the molecular formula C10H7ClF4N2O3 and a molecular weight of 314.62 g/mol. Its IUPAC name is 4-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide
PubChem CID103577982
Molecular FormulaC10H7ClF4N2O3
Molecular Weight314.62 g/mol
Exact Mass314.01
IUPAC Name4-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide
SMILESO=C(NCC(F)(F)C(F)F)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C10H7ClF4N2O3/c11-6-2-1-5(3-7(6)17(19)20)8(18)16-4-10(14,15)9(12)13/h1-3,9H,4H2,(H,16,18)
InChIKeyFGGMNRVLTKXWFD-UHFFFAOYSA-N
XLogP2.88
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.62
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295547
4-chloro-N-[3-[(4-chloro-3-nitrobenzoyl)amino]propyl]-3-nitrobenzamide
CID 4981185
4-chloro-3-nitrobenzohydrazide
CID 3704353
4-chloro-3-nitro-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 104855063
4-chloro-N-[5-chloro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]-3-nitrobenzamide
CID 5063007
3-[(4-chloro-3-nitrobenzoyl)amino]propanoic acid
CID 60657227
4-chloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-nitrobenzamide
CID 90599164
4-chloro-N-(5-hydroxypentyl)-3-nitrobenzamide
CID 107317151
4-methyl-3-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 18105512
4-chloro-N-(1-methylcyclopropyl)-3-nitrobenzamide
CID 18712030
N-(5-amino-5-oxopentyl)-4-chloro-3-nitrobenzamide
CID 106235410
4-chloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-nitrobenzamide
CID 90535442

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The IUPAC name of 4-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide (CID 103577982) is 4-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide.
What is the SMILES notation for 4-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The canonical SMILES for 4-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide is O=C(NCC(F)(F)C(F)F)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The InChIKey is FGGMNRVLTKXWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF4N2O3/c11-6-2-1-5(3-7(6)17(19)20)8(18)16-4-10(14,15)9(12)13/h1-3,9H,4H2,(H,16,18).
What are the key properties of 4-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide?
4-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide has a molecular weight of 314.62 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide is sourced from PubChem (CID 103577982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).