5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide

C13H7ClF2N2O3 — CID 3462912

IUPAC5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H7ClF2N2O3/c14-7-1-4-12(18(20)21)9(5-7)13(19)17-8-2-3-10(15)11(16)6-8/h1-6H,(H,17,19)
InChIKeyPZRJZTVCMLPPAQ-UHFFFAOYSA-N
MW312.66 g/mol
LogP3.78
Rot. Bonds3

About 5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide

5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide (PubChem CID 3462912) has the molecular formula C13H7ClF2N2O3 and a molecular weight of 312.66 g/mol. Its IUPAC name is 5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide
PubChem CID3462912
Molecular FormulaC13H7ClF2N2O3
Molecular Weight312.66 g/mol
Exact Mass312.01
IUPAC Name5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H7ClF2N2O3/c14-7-1-4-12(18(20)21)9(5-7)13(19)17-8-2-3-10(15)11(16)6-8/h1-6H,(H,17,19)
InChIKeyPZRJZTVCMLPPAQ-UHFFFAOYSA-N
XLogP3.78
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.66
LogP ≤ 53.78
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'}

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Related Compounds

5-chloro-N-(3,5-dichlorophenyl)-2-nitrobenzamide
CID 4556863
5-chloro-2-nitro-N-phenylbenzamide
CID 4135938
5-chloro-2-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684275
2-chloro-N-(3,4-difluorophenyl)-3-nitrobenzamide
CID 115930795
5-chloro-N-[4-[4-[(5-chloro-2-nitrobenzoyl)amino]phenoxy]phenyl]-2-nitrobenzamide
CID 4605334
5-amino-N-(3-chloro-4-fluorophenyl)-2-nitrobenzamide
CID 62154053
2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 26696948
N-(3-chloro-4-fluorophenyl)-5-methylsulfanyl-2-nitrobenzamide
CID 27896493
4-chloro-N-(4-fluoro-3-nitrophenyl)-2-iodobenzamide
CID 38926215
5-chloro-N-(2,6-difluoro-3-pyridinyl)-2-nitrobenzamide
CID 103097829
5-amino-N-(3-bromo-4-fluorophenyl)-2-nitrobenzamide
CID 104781598
2-chloro-N-(3-fluoro-4-nitrophenyl)furan-3-carboxamide
CID 106687096

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide?
The IUPAC name of 5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide (CID 3462912) is 5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide.
What is the SMILES notation for 5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide?
The canonical SMILES for 5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide is O=C(Nc1ccc(F)c(F)c1)c1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide?
The InChIKey is PZRJZTVCMLPPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2N2O3/c14-7-1-4-12(18(20)21)9(5-7)13(19)17-8-2-3-10(15)11(16)6-8/h1-6H,(H,17,19).
What are the key properties of 5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide?
5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide has a molecular weight of 312.66 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide is sourced from PubChem (CID 3462912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).