N-[3-[[amino-(3-methylphenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide

C28H23N3O — CID 139891873

IUPACN-[3-[[amino-(3-methylphenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide
SMILESCc1cccc(/C(N)=N/c2cccc(NC(=O)c3cccc4c3Cc3ccccc3-4)c2)c1
InChIInChI=1S/C28H23N3O/c1-18-7-4-9-20(15-18)27(29)30-21-10-5-11-22(17-21)31-28(32)25-14-6-13-24-23-12-3-2-8-19(23)16-26(24)25/h2-15,17H,16H2,1H3,(H2,29,30)(H,31,32)
InChIKeyMHNJDQJBGONSKO-UHFFFAOYSA-N
MW417.51 g/mol
LogP5.86
Rot. Bonds4

About N-[3-[[amino-(3-methylphenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide

N-[3-[[amino-(3-methylphenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide (PubChem CID 139891873) has the molecular formula C28H23N3O and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[3-[[amino-(3-methylphenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide.

Molecular Properties

Compound NameN-[3-[[amino-(3-methylphenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide
PubChem CID139891873
Molecular FormulaC28H23N3O
Molecular Weight417.51 g/mol
Exact Mass417.18
IUPAC NameN-[3-[[amino-(3-methylphenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide
SMILESCc1cccc(/C(N)=N/c2cccc(NC(=O)c3cccc4c3Cc3ccccc3-4)c2)c1
InChIInChI=1S/C28H23N3O/c1-18-7-4-9-20(15-18)27(29)30-21-10-5-11-22(17-21)31-28(32)25-14-6-13-24-23-12-3-2-8-19(23)16-26(24)25/h2-15,17H,16H2,1H3,(H2,29,30)(H,31,32)
InChIKeyMHNJDQJBGONSKO-UHFFFAOYSA-N
XLogP5.86
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[amino(phenyl)methylidene]amino]phenyl]-7-fluoro-9H-fluorene-1-carboxamide
CID 139891871
N-[4-[[amino(phenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide
CID 10179306
N-[3-[[amino(phenyl)methylidene]amino]phenyl]benzamide
CID 139891874
N-[3-[[amino(phenyl)methylidene]amino]phenyl]-9H-carbazole-1-carboxamide
CID 139891858
N-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2-methylbenzamide
CID 168604296
2-bromo-N-(3-methylphenyl)benzamide
CID 532187
N-[3-(carbamothioylamino)phenyl]-3-methylbenzamide
CID 169358288
2-chloro-N-[3-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 76891287
N-(4-methylphenyl)-9H-fluorene-4-carboxamide
CID 2802871
[[amino-(3-methylphenyl)methylidene]amino] N-phenylcarbamate
CID 71329912
5-cyano-2-(9H-fluorene-1-carbonylamino)benzoic acid
CID 142866014
N-(9H-fluoren-2-yl)-2-methoxy-3-methylbenzamide
CID 17102504

Frequently Asked Questions

What is the IUPAC name of N-[3-[[amino-(3-methylphenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide?
The IUPAC name of N-[3-[[amino-(3-methylphenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide (CID 139891873) is N-[3-[[amino-(3-methylphenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide.
What is the SMILES notation for N-[3-[[amino-(3-methylphenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide?
The canonical SMILES for N-[3-[[amino-(3-methylphenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide is Cc1cccc(/C(N)=N/c2cccc(NC(=O)c3cccc4c3Cc3ccccc3-4)c2)c1.
What is the InChIKey of N-[3-[[amino-(3-methylphenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide?
The InChIKey is MHNJDQJBGONSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O/c1-18-7-4-9-20(15-18)27(29)30-21-10-5-11-22(17-21)31-28(32)25-14-6-13-24-23-12-3-2-8-19(23)16-26(24)25/h2-15,17H,16H2,1H3,(H2,29,30)(H,31,32).
What are the key properties of N-[3-[[amino-(3-methylphenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide?
N-[3-[[amino-(3-methylphenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 5.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[amino-(3-methylphenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide is sourced from PubChem (CID 139891873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).