N-[(4-chloro-3-nitrophenyl)methylideneamino]-4-fluorobenzamide

C14H9ClFN3O3 — CID 777220

IUPACN-[(4-chloro-3-nitrophenyl)methylideneamino]-4-fluorobenzamide
SMILESO=C(NN=Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1
InChIInChI=1S/C14H9ClFN3O3/c15-12-6-1-9(7-13(12)19(21)22)8-17-18-14(20)10-2-4-11(16)5-3-10/h1-8H,(H,18,20)
InChIKeyJWTOOTVXVKXCMK-UHFFFAOYSA-N
MW321.70 g/mol
LogP3.15
Rot. Bonds4

About N-[(4-chloro-3-nitrophenyl)methylideneamino]-4-fluorobenzamide

N-[(4-chloro-3-nitrophenyl)methylideneamino]-4-fluorobenzamide (PubChem CID 777220) has the molecular formula C14H9ClFN3O3 and a molecular weight of 321.70 g/mol. Its IUPAC name is N-[(4-chloro-3-nitrophenyl)methylideneamino]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(4-chloro-3-nitrophenyl)methylideneamino]-4-fluorobenzamide
PubChem CID777220
Molecular FormulaC14H9ClFN3O3
Molecular Weight321.70 g/mol
Exact Mass321.03
IUPAC NameN-[(4-chloro-3-nitrophenyl)methylideneamino]-4-fluorobenzamide
SMILESO=C(NN=Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1
InChIInChI=1S/C14H9ClFN3O3/c15-12-6-1-9(7-13(12)19(21)22)8-17-18-14(20)10-2-4-11(16)5-3-10/h1-8H,(H,18,20)
InChIKeyJWTOOTVXVKXCMK-UHFFFAOYSA-N
XLogP3.15
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.70
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-nitrophenyl)methylideneamino]-4-fluorobenzamide?
The IUPAC name of N-[(4-chloro-3-nitrophenyl)methylideneamino]-4-fluorobenzamide (CID 777220) is N-[(4-chloro-3-nitrophenyl)methylideneamino]-4-fluorobenzamide.
What is the SMILES notation for N-[(4-chloro-3-nitrophenyl)methylideneamino]-4-fluorobenzamide?
The canonical SMILES for N-[(4-chloro-3-nitrophenyl)methylideneamino]-4-fluorobenzamide is O=C(NN=Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1.
What is the InChIKey of N-[(4-chloro-3-nitrophenyl)methylideneamino]-4-fluorobenzamide?
The InChIKey is JWTOOTVXVKXCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O3/c15-12-6-1-9(7-13(12)19(21)22)8-17-18-14(20)10-2-4-11(16)5-3-10/h1-8H,(H,18,20).
What are the key properties of N-[(4-chloro-3-nitrophenyl)methylideneamino]-4-fluorobenzamide?
N-[(4-chloro-3-nitrophenyl)methylideneamino]-4-fluorobenzamide has a molecular weight of 321.70 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-nitrophenyl)methylideneamino]-4-fluorobenzamide is sourced from PubChem (CID 777220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).