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

C13H7ClF2N2O3 — CID 115930795

IUPAC2-chloro-N-(3,4-difluorophenyl)-3-nitrobenzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C13H7ClF2N2O3/c14-12-8(2-1-3-11(12)18(20)21)13(19)17-7-4-5-9(15)10(16)6-7/h1-6H,(H,17,19)
InChIKeyCDLJEHYAZCQKKZ-UHFFFAOYSA-N
MW312.66 g/mol
LogP3.78
Rot. Bonds3

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

2-chloro-N-(3,4-difluorophenyl)-3-nitrobenzamide (PubChem CID 115930795) has the molecular formula C13H7ClF2N2O3 and a molecular weight of 312.66 g/mol. Its IUPAC name is 2-chloro-N-(3,4-difluorophenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(3,4-difluorophenyl)-3-nitrobenzamide
PubChem CID115930795
Molecular FormulaC13H7ClF2N2O3
Molecular Weight312.66 g/mol
Exact Mass312.01
IUPAC Name2-chloro-N-(3,4-difluorophenyl)-3-nitrobenzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C13H7ClF2N2O3/c14-12-8(2-1-3-11(12)18(20)21)13(19)17-7-4-5-9(15)10(16)6-7/h1-6H,(H,17,19)
InChIKeyCDLJEHYAZCQKKZ-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-(3-chloro-4-fluorophenyl)-3-nitrobenzamide
CID 115930885
5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide
CID 3462912
2-chloro-N-(4-hydroxyphenyl)-3-nitrobenzamide
CID 115931016
2-chloro-N-(3-fluoro-5-methylphenyl)-3-nitrobenzamide
CID 115931324
N-(3,4-difluorophenyl)-3-methyl-2-nitrobenzamide
CID 890522
2-bromo-N-(3-bromo-4-fluorophenyl)-3-nitrobenzamide
CID 104776958
2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 26696948
N-(3-chloro-4-nitrophenyl)-2-fluorobenzamide
CID 18542951
N-(3,4-difluorophenyl)-2,3-difluorobenzamide
CID 62648495
N-(3-chloro-4-methylphenyl)-2-methyl-3-nitrobenzamide
CID 710986
N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-nitrobenzamide
CID 22245107
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,4-difluorophenyl)-3-nitrobenzamide?
The IUPAC name of 2-chloro-N-(3,4-difluorophenyl)-3-nitrobenzamide (CID 115930795) is 2-chloro-N-(3,4-difluorophenyl)-3-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(3,4-difluorophenyl)-3-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(3,4-difluorophenyl)-3-nitrobenzamide is O=C(Nc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1Cl.
What is the InChIKey of 2-chloro-N-(3,4-difluorophenyl)-3-nitrobenzamide?
The InChIKey is CDLJEHYAZCQKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2N2O3/c14-12-8(2-1-3-11(12)18(20)21)13(19)17-7-4-5-9(15)10(16)6-7/h1-6H,(H,17,19).
What are the key properties of 2-chloro-N-(3,4-difluorophenyl)-3-nitrobenzamide?
2-chloro-N-(3,4-difluorophenyl)-3-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-(3,4-difluorophenyl)-3-nitrobenzamide is sourced from PubChem (CID 115930795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).