N-[3-[[amino(phenyl)methylidene]amino]phenyl]-7-fluoro-9H-fluorene-1-carboxamide

C27H20FN3O — CID 139891871

IUPACN-[3-[[amino(phenyl)methylidene]amino]phenyl]-7-fluoro-9H-fluorene-1-carboxamide
SMILESN/C(=N\c1cccc(NC(=O)c2cccc3c2Cc2cc(F)ccc2-3)c1)c1ccccc1
InChIInChI=1S/C27H20FN3O/c28-19-12-13-22-18(14-19)15-25-23(22)10-5-11-24(25)27(32)31-21-9-4-8-20(16-21)30-26(29)17-6-2-1-3-7-17/h1-14,16H,15H2,(H2,29,30)(H,31,32)
InChIKeySVNJTLHNYNQYGI-UHFFFAOYSA-N
MW421.48 g/mol
LogP5.69
Rot. Bonds4

About N-[3-[[amino(phenyl)methylidene]amino]phenyl]-7-fluoro-9H-fluorene-1-carboxamide

N-[3-[[amino(phenyl)methylidene]amino]phenyl]-7-fluoro-9H-fluorene-1-carboxamide (PubChem CID 139891871) has the molecular formula C27H20FN3O and a molecular weight of 421.48 g/mol. Its IUPAC name is N-[3-[[amino(phenyl)methylidene]amino]phenyl]-7-fluoro-9H-fluorene-1-carboxamide.

Molecular Properties

Compound NameN-[3-[[amino(phenyl)methylidene]amino]phenyl]-7-fluoro-9H-fluorene-1-carboxamide
PubChem CID139891871
Molecular FormulaC27H20FN3O
Molecular Weight421.48 g/mol
Exact Mass421.16
IUPAC NameN-[3-[[amino(phenyl)methylidene]amino]phenyl]-7-fluoro-9H-fluorene-1-carboxamide
SMILESN/C(=N\c1cccc(NC(=O)c2cccc3c2Cc2cc(F)ccc2-3)c1)c1ccccc1
InChIInChI=1S/C27H20FN3O/c28-19-12-13-22-18(14-19)15-25-23(22)10-5-11-24(25)27(32)31-21-9-4-8-20(16-21)30-26(29)17-6-2-1-3-7-17/h1-14,16H,15H2,(H2,29,30)(H,31,32)
InChIKeySVNJTLHNYNQYGI-UHFFFAOYSA-N
XLogP5.69
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.48
LogP ≤ 55.69
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-(3-methylphenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide
CID 139891873
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'-[7-[[amino(phenyl)methylidene]amino]-9H-fluoren-2-yl]benzenecarboximidamide;dihydrochloride
CID 11784798
N'-[3-[[amino(phenyl)methylidene]amino]phenyl]benzenecarboximidamide
CID 132564984
2-N',7-N'-diphenyl-9H-fluorene-2,7-dicarboximidamide
CID 11258159
9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid
CID 158991215
N-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2-methylbenzamide
CID 168604296
3-[(2-carbamoylbenzoyl)amino]benzoic acid
CID 4607393
9H-fluorene-1-carboxamide
CID 18474131
2-[N'-(3-benzamidophenyl)carbamimidoyl]-3,4,5-trimethoxybenzamide
CID 140659533

Frequently Asked Questions

What is the IUPAC name of N-[3-[[amino(phenyl)methylidene]amino]phenyl]-7-fluoro-9H-fluorene-1-carboxamide?
The IUPAC name of N-[3-[[amino(phenyl)methylidene]amino]phenyl]-7-fluoro-9H-fluorene-1-carboxamide (CID 139891871) is N-[3-[[amino(phenyl)methylidene]amino]phenyl]-7-fluoro-9H-fluorene-1-carboxamide.
What is the SMILES notation for N-[3-[[amino(phenyl)methylidene]amino]phenyl]-7-fluoro-9H-fluorene-1-carboxamide?
The canonical SMILES for N-[3-[[amino(phenyl)methylidene]amino]phenyl]-7-fluoro-9H-fluorene-1-carboxamide is N/C(=N\c1cccc(NC(=O)c2cccc3c2Cc2cc(F)ccc2-3)c1)c1ccccc1.
What is the InChIKey of N-[3-[[amino(phenyl)methylidene]amino]phenyl]-7-fluoro-9H-fluorene-1-carboxamide?
The InChIKey is SVNJTLHNYNQYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN3O/c28-19-12-13-22-18(14-19)15-25-23(22)10-5-11-24(25)27(32)31-21-9-4-8-20(16-21)30-26(29)17-6-2-1-3-7-17/h1-14,16H,15H2,(H2,29,30)(H,31,32).
What are the key properties of N-[3-[[amino(phenyl)methylidene]amino]phenyl]-7-fluoro-9H-fluorene-1-carboxamide?
N-[3-[[amino(phenyl)methylidene]amino]phenyl]-7-fluoro-9H-fluorene-1-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 5.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[amino(phenyl)methylidene]amino]phenyl]-7-fluoro-9H-fluorene-1-carboxamide is sourced from PubChem (CID 139891871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).