N'-(fluoren-9-ylideneamino)-N-(4-methylphenyl)oxamide

C22H17N3O2 — CID 9155525

IUPACN'-(fluoren-9-ylideneamino)-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NN=C2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C22H17N3O2/c1-14-10-12-15(13-11-14)23-21(26)22(27)25-24-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-13H,1H3,(H,23,26)(H,25,27)
InChIKeyPCQUGVLAYWLWKB-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.48
Rot. Bonds2

About N'-(fluoren-9-ylideneamino)-N-(4-methylphenyl)oxamide

N'-(fluoren-9-ylideneamino)-N-(4-methylphenyl)oxamide (PubChem CID 9155525) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is N'-(fluoren-9-ylideneamino)-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-(fluoren-9-ylideneamino)-N-(4-methylphenyl)oxamide
PubChem CID9155525
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC NameN'-(fluoren-9-ylideneamino)-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NN=C2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C22H17N3O2/c1-14-10-12-15(13-11-14)23-21(26)22(27)25-24-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-13H,1H3,(H,23,26)(H,25,27)
InChIKeyPCQUGVLAYWLWKB-UHFFFAOYSA-N
XLogP3.48
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylphenyl)-N'-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]oxamide
CID 9156024
N-(fluoren-9-ylideneamino)-4-methylaniline
CID 4130822
N'-(cyclooctylideneamino)-N-(4-methylphenyl)oxamide
CID 71902500
N'-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-N-(4-methylphenyl)oxamide
CID 9410894
N'-[(Z)-1-(2-bromophenyl)ethylideneamino]-N-(4-methylphenyl)oxamide
CID 9155868
N'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 45054503
N'-[(Z)-(8-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-N-(4-methylphenyl)oxamide
CID 75365072
N'-[(Z)-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-N-(4-methylphenyl)oxamide
CID 9179917
N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-N-(4-methylphenyl)oxamide
CID 9179733
N-(4-methylphenyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide
CID 9179587
N'-(heptan-4-ylideneamino)-N-(4-methylphenyl)oxamide
CID 3102509
N'-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-N-(4-methylphenyl)oxamide
CID 135574728

Frequently Asked Questions

What is the IUPAC name of N'-(fluoren-9-ylideneamino)-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-(fluoren-9-ylideneamino)-N-(4-methylphenyl)oxamide (CID 9155525) is N'-(fluoren-9-ylideneamino)-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-(fluoren-9-ylideneamino)-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-(fluoren-9-ylideneamino)-N-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)NN=C2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N'-(fluoren-9-ylideneamino)-N-(4-methylphenyl)oxamide?
The InChIKey is PCQUGVLAYWLWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-14-10-12-15(13-11-14)23-21(26)22(27)25-24-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-13H,1H3,(H,23,26)(H,25,27).
What are the key properties of N'-(fluoren-9-ylideneamino)-N-(4-methylphenyl)oxamide?
N'-(fluoren-9-ylideneamino)-N-(4-methylphenyl)oxamide has a molecular weight of 355.40 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(fluoren-9-ylideneamino)-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 9155525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).