N-(fluoren-9-ylideneamino)-2-(3-nitrophenoxy)propanamide

C22H17N3O4 — CID 5083681

IUPACN-(fluoren-9-ylideneamino)-2-(3-nitrophenoxy)propanamide
SMILESCC(Oc1cccc([N+](=O)[O-])c1)C(=O)NN=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H17N3O4/c1-14(29-16-8-6-7-15(13-16)25(27)28)22(26)24-23-21-19-11-4-2-9-17(19)18-10-3-5-12-20(18)21/h2-14H,1H3,(H,24,26)
InChIKeyDJAMXAHMEKDGSQ-UHFFFAOYSA-N
MW387.40 g/mol
LogP3.91
Rot. Bonds5

About N-(fluoren-9-ylideneamino)-2-(3-nitrophenoxy)propanamide

N-(fluoren-9-ylideneamino)-2-(3-nitrophenoxy)propanamide (PubChem CID 5083681) has the molecular formula C22H17N3O4 and a molecular weight of 387.40 g/mol. Its IUPAC name is N-(fluoren-9-ylideneamino)-2-(3-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-(fluoren-9-ylideneamino)-2-(3-nitrophenoxy)propanamide
PubChem CID5083681
Molecular FormulaC22H17N3O4
Molecular Weight387.40 g/mol
Exact Mass387.12
IUPAC NameN-(fluoren-9-ylideneamino)-2-(3-nitrophenoxy)propanamide
SMILESCC(Oc1cccc([N+](=O)[O-])c1)C(=O)NN=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H17N3O4/c1-14(29-16-8-6-7-15(13-16)25(27)28)22(26)24-23-21-19-11-4-2-9-17(19)18-10-3-5-12-20(18)21/h2-14H,1H3,(H,24,26)
InChIKeyDJAMXAHMEKDGSQ-UHFFFAOYSA-N
XLogP3.91
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(3-nitrophenoxy)-N-propylpropanamide
CID 8956680
(2R)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(3-nitrophenoxy)propanamide
CID 92644710
(2S)-2-(3-nitrophenoxy)propanamide
CID 7865254
(2R)-2-naphthalen-2-yloxy-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide
CID 8757437
4-[[(2S)-2-(3-nitrophenoxy)propanoyl]amino]benzamide
CID 7865285
(2S)-N-(4-ethylphenyl)-2-(3-nitrophenoxy)propanamide
CID 7864960
(2S)-N-(2-methoxy-5-methylphenyl)-2-(3-nitrophenoxy)propanamide
CID 8956638
(2S)-2-(3-methoxyphenoxy)-N-(3-nitrophenyl)propanamide
CID 30377777
(2R)-N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)propanamide
CID 7865200
(2S)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3-nitrophenoxy)propanamide
CID 7865335
(2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]propanamide
CID 787801
2-(3,4-dimethylphenoxy)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide
CID 17169274

Frequently Asked Questions

What is the IUPAC name of N-(fluoren-9-ylideneamino)-2-(3-nitrophenoxy)propanamide?
The IUPAC name of N-(fluoren-9-ylideneamino)-2-(3-nitrophenoxy)propanamide (CID 5083681) is N-(fluoren-9-ylideneamino)-2-(3-nitrophenoxy)propanamide.
What is the SMILES notation for N-(fluoren-9-ylideneamino)-2-(3-nitrophenoxy)propanamide?
The canonical SMILES for N-(fluoren-9-ylideneamino)-2-(3-nitrophenoxy)propanamide is CC(Oc1cccc([N+](=O)[O-])c1)C(=O)NN=C1c2ccccc2-c2ccccc21.
What is the InChIKey of N-(fluoren-9-ylideneamino)-2-(3-nitrophenoxy)propanamide?
The InChIKey is DJAMXAHMEKDGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4/c1-14(29-16-8-6-7-15(13-16)25(27)28)22(26)24-23-21-19-11-4-2-9-17(19)18-10-3-5-12-20(18)21/h2-14H,1H3,(H,24,26).
What are the key properties of N-(fluoren-9-ylideneamino)-2-(3-nitrophenoxy)propanamide?
N-(fluoren-9-ylideneamino)-2-(3-nitrophenoxy)propanamide has a molecular weight of 387.40 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoren-9-ylideneamino)-2-(3-nitrophenoxy)propanamide is sourced from PubChem (CID 5083681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).