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

C13H7ClF2N2O3 — CID 7770244

IUPAC2-chloro-N-(2,5-difluorophenyl)-5-nitrobenzamide
SMILESO=C(Nc1cc(F)ccc1F)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H7ClF2N2O3/c14-10-3-2-8(18(20)21)6-9(10)13(19)17-12-5-7(15)1-4-11(12)16/h1-6H,(H,17,19)
InChIKeyWQAMGQKMAWUWDT-UHFFFAOYSA-N
MW312.66 g/mol
LogP3.78
Rot. Bonds3

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

2-chloro-N-(2,5-difluorophenyl)-5-nitrobenzamide (PubChem CID 7770244) has the molecular formula C13H7ClF2N2O3 and a molecular weight of 312.66 g/mol. Its IUPAC name is 2-chloro-N-(2,5-difluorophenyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(2,5-difluorophenyl)-5-nitrobenzamide
PubChem CID7770244
Molecular FormulaC13H7ClF2N2O3
Molecular Weight312.66 g/mol
Exact Mass312.01
IUPAC Name2-chloro-N-(2,5-difluorophenyl)-5-nitrobenzamide
SMILESO=C(Nc1cc(F)ccc1F)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H7ClF2N2O3/c14-10-3-2-8(18(20)21)6-9(10)13(19)17-12-5-7(15)1-4-11(12)16/h1-6H,(H,17,19)
InChIKeyWQAMGQKMAWUWDT-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

2-chloro-N-(2,4-difluorophenyl)-5-nitrobenzamide
CID 776265
N-(2-bromo-5-fluorophenyl)-2-chloro-5-nitrobenzamide
CID 103753653
5-bromo-2-chloro-N-(2-fluoro-5-nitrophenyl)benzamide
CID 1338128
N-(2-chloro-5-nitrophenyl)-N'-(2,5-difluorophenyl)oxamide
CID 108513618
2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)-5-nitrobenzamide
CID 31929454
N-(2-chloro-5-nitrophenyl)-2,4-difluorobenzamide
CID 127502598
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-chloro-5-nitrobenzoate
CID 2630963
2-chloro-N-(2,4-difluorophenyl)-4-nitrobenzamide
CID 773721
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
N-(2-bromo-5-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 81270163
2-chloro-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 26361023
N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 1354566

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,5-difluorophenyl)-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-(2,5-difluorophenyl)-5-nitrobenzamide (CID 7770244) is 2-chloro-N-(2,5-difluorophenyl)-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(2,5-difluorophenyl)-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(2,5-difluorophenyl)-5-nitrobenzamide is O=C(Nc1cc(F)ccc1F)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-N-(2,5-difluorophenyl)-5-nitrobenzamide?
The InChIKey is WQAMGQKMAWUWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2N2O3/c14-10-3-2-8(18(20)21)6-9(10)13(19)17-12-5-7(15)1-4-11(12)16/h1-6H,(H,17,19).
What are the key properties of 2-chloro-N-(2,5-difluorophenyl)-5-nitrobenzamide?
2-chloro-N-(2,5-difluorophenyl)-5-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 2-chloro-N-(2,5-difluorophenyl)-5-nitrobenzamide is sourced from PubChem (CID 7770244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).