2-chloro-4,5-difluoro-N-(3-nitrophenyl)benzamide

C13H7ClF2N2O3 — CID 797365

IUPAC2-chloro-4,5-difluoro-N-(3-nitrophenyl)benzamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C13H7ClF2N2O3/c14-10-6-12(16)11(15)5-9(10)13(19)17-7-2-1-3-8(4-7)18(20)21/h1-6H,(H,17,19)
InChIKeyRDECLXVUVBFLPV-UHFFFAOYSA-N
MW312.66 g/mol
LogP3.78
Rot. Bonds3

About 2-chloro-4,5-difluoro-N-(3-nitrophenyl)benzamide

2-chloro-4,5-difluoro-N-(3-nitrophenyl)benzamide (PubChem CID 797365) has the molecular formula C13H7ClF2N2O3 and a molecular weight of 312.66 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-(3-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-(3-nitrophenyl)benzamide
PubChem CID797365
Molecular FormulaC13H7ClF2N2O3
Molecular Weight312.66 g/mol
Exact Mass312.01
IUPAC Name2-chloro-4,5-difluoro-N-(3-nitrophenyl)benzamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C13H7ClF2N2O3/c14-10-6-12(16)11(15)5-9(10)13(19)17-7-2-1-3-8(4-7)18(20)21/h1-6H,(H,17,19)
InChIKeyRDECLXVUVBFLPV-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': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-(3-nitrophenyl)benzamide
CID 531938
2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 26696948
2-chloro-4,5-difluoro-N-(3-hydroxyphenyl)benzamide
CID 78783752
2-amino-3-fluoro-N-(3-nitrophenyl)benzamide
CID 62650434
2,4-dichloro-5-fluoro-N-(4-nitrophenyl)benzamide
CID 51204698
5-bromo-2-fluoro-N-(3-nitrophenyl)benzamide
CID 9410966
2-chloro-N-(3-nitrophenyl)-5-[(3-nitrophenyl)sulfamoyl]benzamide
CID 3092265
2,3-difluoro-N-(3-nitrophenyl)pyridine-4-carboxamide
CID 105380312
2-chloro-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 774440
5-chloro-2-(methylamino)-N-(3-nitrophenyl)benzamide
CID 62166987
2-[(3-nitrophenyl)carbamoyl]benzoate
CID 6935895
2-iodo-5-nitro-N-(3-nitrophenyl)benzamide
CID 38925983

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-(3-nitrophenyl)benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-(3-nitrophenyl)benzamide (CID 797365) is 2-chloro-4,5-difluoro-N-(3-nitrophenyl)benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-(3-nitrophenyl)benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-(3-nitrophenyl)benzamide is O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-(3-nitrophenyl)benzamide?
The InChIKey is RDECLXVUVBFLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2N2O3/c14-10-6-12(16)11(15)5-9(10)13(19)17-7-2-1-3-8(4-7)18(20)21/h1-6H,(H,17,19).
What are the key properties of 2-chloro-4,5-difluoro-N-(3-nitrophenyl)benzamide?
2-chloro-4,5-difluoro-N-(3-nitrophenyl)benzamide 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 2-chloro-4,5-difluoro-N-(3-nitrophenyl)benzamide is sourced from PubChem (CID 797365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).