2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methoxy-2-nitrophenyl)pentanamide

C12H7F9N2O4 — CID 4102535

IUPAC2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methoxy-2-nitrophenyl)pentanamide
SMILESCOc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c([N+](=O)[O-])c1
InChIInChI=1S/C12H7F9N2O4/c1-27-5-2-3-6(7(4-5)23(25)26)22-8(24)9(13,14)10(15,16)11(17,18)12(19,20)21/h2-4H,1H3,(H,22,24)
InChIKeyAMUSYEPRTLRHCV-UHFFFAOYSA-N
MW414.18 g/mol
LogP4.01
Rot. Bonds6

About 2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methoxy-2-nitrophenyl)pentanamide

2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methoxy-2-nitrophenyl)pentanamide (PubChem CID 4102535) has the molecular formula C12H7F9N2O4 and a molecular weight of 414.18 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methoxy-2-nitrophenyl)pentanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methoxy-2-nitrophenyl)pentanamide
PubChem CID4102535
Molecular FormulaC12H7F9N2O4
Molecular Weight414.18 g/mol
Exact Mass414.03
IUPAC Name2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methoxy-2-nitrophenyl)pentanamide
SMILESCOc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c([N+](=O)[O-])c1
InChIInChI=1S/C12H7F9N2O4/c1-27-5-2-3-6(7(4-5)23(25)26)22-8(24)9(13,14)10(15,16)11(17,18)12(19,20)21/h2-4H,1H3,(H,22,24)
InChIKeyAMUSYEPRTLRHCV-UHFFFAOYSA-N
XLogP4.01
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.18
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,4-dimethoxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
CID 19177842
N-(4-methoxy-2-nitrophenyl)-2,2-dimethylbutanamide
CID 3140520
2-(4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)-2-methylpropanamide
CID 2934377
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
N-(4-methoxy-2-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915263
2-amino-N-(4-methoxy-2-nitrophenyl)-2-methylpentanamide
CID 60848957
N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 5060247
2-hydroxy-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2798189
N-(4-ethoxy-2-nitrophenyl)-2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanamide
CID 3109819
1-tert-butyl-3-(4-methoxy-2-nitrophenyl)thiourea
CID 2797798
N-(2-chloro-4-nitrophenyl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 3632427

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methoxy-2-nitrophenyl)pentanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methoxy-2-nitrophenyl)pentanamide (CID 4102535) is 2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methoxy-2-nitrophenyl)pentanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methoxy-2-nitrophenyl)pentanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methoxy-2-nitrophenyl)pentanamide is COc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c([N+](=O)[O-])c1.
What is the InChIKey of 2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methoxy-2-nitrophenyl)pentanamide?
The InChIKey is AMUSYEPRTLRHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F9N2O4/c1-27-5-2-3-6(7(4-5)23(25)26)22-8(24)9(13,14)10(15,16)11(17,18)12(19,20)21/h2-4H,1H3,(H,22,24).
What are the key properties of 2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methoxy-2-nitrophenyl)pentanamide?
2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methoxy-2-nitrophenyl)pentanamide has a molecular weight of 414.18 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methoxy-2-nitrophenyl)pentanamide is sourced from PubChem (CID 4102535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).