N-(2-chloro-5-nitrophenyl)-2,4-difluorobenzamide

C13H7ClF2N2O3 — CID 127502598

IUPACN-(2-chloro-5-nitrophenyl)-2,4-difluorobenzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1F
InChIInChI=1S/C13H7ClF2N2O3/c14-10-4-2-8(18(20)21)6-12(10)17-13(19)9-3-1-7(15)5-11(9)16/h1-6H,(H,17,19)
InChIKeyDMYFMUZQYSSNCW-UHFFFAOYSA-N
MW312.66 g/mol
LogP3.78
Rot. Bonds3

About N-(2-chloro-5-nitrophenyl)-2,4-difluorobenzamide

N-(2-chloro-5-nitrophenyl)-2,4-difluorobenzamide (PubChem CID 127502598) has the molecular formula C13H7ClF2N2O3 and a molecular weight of 312.66 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)-2,4-difluorobenzamide
PubChem CID127502598
Molecular FormulaC13H7ClF2N2O3
Molecular Weight312.66 g/mol
Exact Mass312.01
IUPAC NameN-(2-chloro-5-nitrophenyl)-2,4-difluorobenzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1F
InChIInChI=1S/C13H7ClF2N2O3/c14-10-4-2-8(18(20)21)6-12(10)17-13(19)9-3-1-7(15)5-11(9)16/h1-6H,(H,17,19)
InChIKeyDMYFMUZQYSSNCW-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
2-chloro-N-(2,4-difluorophenyl)-4-nitrobenzamide
CID 773721
2,4-difluoro-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 108808620
2-chloro-N-(2,5-difluorophenyl)-5-nitrobenzamide
CID 7770244
[2-(2-chloro-5-nitroanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2349904
N-(2-chloro-5-nitrophenyl)-N'-(2,5-difluorophenyl)oxamide
CID 108513618
N-(2-chloro-5-nitrophenyl)-2,3,4,5,6-pentafluorobenzamide
CID 3483393
N-(2-bromo-5-fluorophenyl)-2-chloro-5-nitrobenzamide
CID 103753653
4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 720125
5-bromo-2-chloro-N-(2-fluoro-5-nitrophenyl)benzamide
CID 1338128
N-(2-chloro-5-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 103733508
2-chloro-N-[(2-chloro-5-nitrophenyl)carbamoyl]-4,5-difluorobenzamide
CID 11567289

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)-2,4-difluorobenzamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)-2,4-difluorobenzamide (CID 127502598) is N-(2-chloro-5-nitrophenyl)-2,4-difluorobenzamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)-2,4-difluorobenzamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)-2,4-difluorobenzamide is O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1F.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)-2,4-difluorobenzamide?
The InChIKey is DMYFMUZQYSSNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2N2O3/c14-10-4-2-8(18(20)21)6-12(10)17-13(19)9-3-1-7(15)5-11(9)16/h1-6H,(H,17,19).
What are the key properties of N-(2-chloro-5-nitrophenyl)-2,4-difluorobenzamide?
N-(2-chloro-5-nitrophenyl)-2,4-difluorobenzamide 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 N-(2-chloro-5-nitrophenyl)-2,4-difluorobenzamide is sourced from PubChem (CID 127502598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).