2-(2-nitrophenoxy)-N-[4-[9-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]fluoren-9-yl]phenyl]propanamide

C43H34N4O8 — CID 4944896

IUPAC2-(2-nitrophenoxy)-N-[4-[9-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]fluoren-9-yl]phenyl]propanamide
SMILESCC(Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(C2(c3ccc(NC(=O)C(C)Oc4ccccc4[N+](=O)[O-])cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C43H34N4O8/c1-27(54-39-17-9-7-15-37(39)46(50)51)41(48)44-31-23-19-29(20-24-31)43(35-13-5-3-11-33(35)34-12-4-6-14-36(34)43)30-21-25-32(26-22-30)45-42(49)28(2)55-40-18-10-8-16-38(40)47(52)53/h3-28H,1-2H3,(H,44,48)(H,45,49)
InChIKeyOCYJUPTVDICJAC-UHFFFAOYSA-N
MW734.76 g/mol
LogP8.68
Rot. Bonds12

About 2-(2-nitrophenoxy)-N-[4-[9-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]fluoren-9-yl]phenyl]propanamide

2-(2-nitrophenoxy)-N-[4-[9-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]fluoren-9-yl]phenyl]propanamide (PubChem CID 4944896) has the molecular formula C43H34N4O8 and a molecular weight of 734.76 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)-N-[4-[9-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]fluoren-9-yl]phenyl]propanamide.

Molecular Properties

Compound Name2-(2-nitrophenoxy)-N-[4-[9-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]fluoren-9-yl]phenyl]propanamide
PubChem CID4944896
Molecular FormulaC43H34N4O8
Molecular Weight734.76 g/mol
Exact Mass734.24
IUPAC Name2-(2-nitrophenoxy)-N-[4-[9-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]fluoren-9-yl]phenyl]propanamide
SMILESCC(Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(C2(c3ccc(NC(=O)C(C)Oc4ccccc4[N+](=O)[O-])cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C43H34N4O8/c1-27(54-39-17-9-7-15-37(39)46(50)51)41(48)44-31-23-19-29(20-24-31)43(35-13-5-3-11-33(35)34-12-4-6-14-36(34)43)30-21-25-32(26-22-30)45-42(49)28(2)55-40-18-10-8-16-38(40)47(52)53/h3-28H,1-2H3,(H,44,48)(H,45,49)
InChIKeyOCYJUPTVDICJAC-UHFFFAOYSA-N
XLogP8.68
TPSA162.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.76
LogP ≤ 58.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide
CID 4810380
(2R)-N-(4-methylphenyl)-2-(2-nitrophenoxy)propanamide
CID 7503574
(2R)-N-(4-fluorophenyl)-2-(2-nitrophenoxy)propanamide
CID 7503743
N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943658
(2R)-N-(4-iodophenyl)-2-(2-nitrophenoxy)propanamide
CID 9205324
N-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]benzamide
CID 17235413
(2R)-N-(3,4-dimethylphenyl)-2-(2-nitrophenoxy)propanamide
CID 9205295
N-[4-[acetyl(methyl)amino]phenyl]-2-(2-nitrophenoxy)propanamide
CID 4943664
2-(2-nitrophenoxy)-N-(4-propoxyphenyl)propanamide
CID 4943938
(2R)-2-(3-methylphenoxy)-N-[4-[9-[4-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]phenyl]fluoren-9-yl]phenyl]propanamide
CID 99650429
2-(2-nitrophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 4947557
N-(2-methoxyethyl)-4-[2-(2-nitrophenoxy)propanoylamino]benzamide
CID 17218280

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)-N-[4-[9-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]fluoren-9-yl]phenyl]propanamide?
The IUPAC name of 2-(2-nitrophenoxy)-N-[4-[9-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]fluoren-9-yl]phenyl]propanamide (CID 4944896) is 2-(2-nitrophenoxy)-N-[4-[9-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]fluoren-9-yl]phenyl]propanamide.
What is the SMILES notation for 2-(2-nitrophenoxy)-N-[4-[9-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]fluoren-9-yl]phenyl]propanamide?
The canonical SMILES for 2-(2-nitrophenoxy)-N-[4-[9-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]fluoren-9-yl]phenyl]propanamide is CC(Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(C2(c3ccc(NC(=O)C(C)Oc4ccccc4[N+](=O)[O-])cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 2-(2-nitrophenoxy)-N-[4-[9-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]fluoren-9-yl]phenyl]propanamide?
The InChIKey is OCYJUPTVDICJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N4O8/c1-27(54-39-17-9-7-15-37(39)46(50)51)41(48)44-31-23-19-29(20-24-31)43(35-13-5-3-11-33(35)34-12-4-6-14-36(34)43)30-21-25-32(26-22-30)45-42(49)28(2)55-40-18-10-8-16-38(40)47(52)53/h3-28H,1-2H3,(H,44,48)(H,45,49).
What are the key properties of 2-(2-nitrophenoxy)-N-[4-[9-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]fluoren-9-yl]phenyl]propanamide?
2-(2-nitrophenoxy)-N-[4-[9-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]fluoren-9-yl]phenyl]propanamide has a molecular weight of 734.76 g/mol, XLogP of 8.68, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenoxy)-N-[4-[9-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]fluoren-9-yl]phenyl]propanamide is sourced from PubChem (CID 4944896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).