N-(2-chloro-4-nitrophenyl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide

C11H4ClF9N2O3 — CID 3632427

IUPACN-(2-chloro-4-nitrophenyl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H4ClF9N2O3/c12-5-3-4(23(25)26)1-2-6(5)22-7(24)8(13,14)9(15,16)10(17,18)11(19,20)21/h1-3H,(H,22,24)
InChIKeyZZJBQRZXOUZYIZ-UHFFFAOYSA-N
MW418.60 g/mol
LogP4.65
Rot. Bonds5

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

N-(2-chloro-4-nitrophenyl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide (PubChem CID 3632427) has the molecular formula C11H4ClF9N2O3 and a molecular weight of 418.60 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
PubChem CID3632427
Molecular FormulaC11H4ClF9N2O3
Molecular Weight418.60 g/mol
Exact Mass417.98
IUPAC NameN-(2-chloro-4-nitrophenyl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H4ClF9N2O3/c12-5-3-4(23(25)26)1-2-6(5)22-7(24)8(13,14)9(15,16)10(17,18)11(19,20)21/h1-3H,(H,22,24)
InChIKeyZZJBQRZXOUZYIZ-UHFFFAOYSA-N
XLogP4.65
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.60
LogP ≤ 54.65
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dinitrophenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 2748511
N,N'-bis(2-chloro-5-nitrophenyl)-2,2,3,3-tetrafluorobutanediamide
CID 3519654
N-(2-chloro-5-nitrophenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
CID 4058445
N-(2-bromo-4-nitrophenyl)-2,2,3,3,3-pentafluoropropanamide
CID 15402155
N-(2-chloro-4-nitrophenyl)-2,2-difluoroacetamide
CID 103514907
2,2,3,3,4,4,5,5,5-nonafluoro-N-[4-nitro-3-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]pentanamide
CID 4092045
methyl N-(2-chloro-4-nitrophenyl)carbamate
CID 5055099
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-(trifluoromethyl)benzamide
CID 155662759
N,2-dichloro-4-nitroaniline
CID 57242965
2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methoxy-2-nitrophenyl)pentanamide
CID 4102535
2-amino-N-(2-chloro-4-nitrophenyl)-2-cyclopropylpropanamide
CID 54925136

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide (CID 3632427) is N-(2-chloro-4-nitrophenyl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide is O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The InChIKey is ZZJBQRZXOUZYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4ClF9N2O3/c12-5-3-4(23(25)26)1-2-6(5)22-7(24)8(13,14)9(15,16)10(17,18)11(19,20)21/h1-3H,(H,22,24).
What are the key properties of N-(2-chloro-4-nitrophenyl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
N-(2-chloro-4-nitrophenyl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide has a molecular weight of 418.60 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide is sourced from PubChem (CID 3632427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).