N-[3-[[amino(phenyl)methylidene]amino]phenyl]benzamide

C20H17N3O — CID 139891874

IUPACN-[3-[[amino(phenyl)methylidene]amino]phenyl]benzamide
SMILESN/C(=N\c1cccc(NC(=O)c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C20H17N3O/c21-19(15-8-3-1-4-9-15)22-17-12-7-13-18(14-17)23-20(24)16-10-5-2-6-11-16/h1-14H,(H2,21,22)(H,23,24)
InChIKeyBUFOXWCJVZTVCW-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.98
Rot. Bonds4

About N-[3-[[amino(phenyl)methylidene]amino]phenyl]benzamide

N-[3-[[amino(phenyl)methylidene]amino]phenyl]benzamide (PubChem CID 139891874) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[3-[[amino(phenyl)methylidene]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[amino(phenyl)methylidene]amino]phenyl]benzamide
PubChem CID139891874
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC NameN-[3-[[amino(phenyl)methylidene]amino]phenyl]benzamide
SMILESN/C(=N\c1cccc(NC(=O)c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C20H17N3O/c21-19(15-8-3-1-4-9-15)22-17-12-7-13-18(14-17)23-20(24)16-10-5-2-6-11-16/h1-14H,(H2,21,22)(H,23,24)
InChIKeyBUFOXWCJVZTVCW-UHFFFAOYSA-N
XLogP3.98
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.98
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]-9H-carbazole-1-carboxamide
CID 139891858
N'-[3-[[amino(phenyl)methylidene]amino]phenyl]benzenecarboximidamide
CID 132564984
2-[N'-(3-benzamidophenyl)carbamimidoyl]-3,4,5-trimethoxybenzamide
CID 140659533
N-[3-[[amino(phenyl)methylidene]amino]phenyl]-7-fluoro-9H-fluorene-1-carboxamide
CID 139891871
N-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-4-tert-butylbenzamide
CID 168603567
N-[3-[[amino-(3-methylphenyl)methylidene]amino]phenyl]-9H-fluorene-1-carboxamide
CID 139891873
N-[3-(1-aminoethylideneamino)phenyl]acetamide
CID 63173502
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24691047
3-[[4-(2-phenylethynyl)benzoyl]amino]benzamide
CID 22110606
molecular hydrogen;N-phenylbenzamide
CID 145238042
N-[3-(diaminomethylideneamino)phenyl]acetamide;hydrochloride
CID 91619584

Frequently Asked Questions

What is the IUPAC name of N-[3-[[amino(phenyl)methylidene]amino]phenyl]benzamide?
The IUPAC name of N-[3-[[amino(phenyl)methylidene]amino]phenyl]benzamide (CID 139891874) is N-[3-[[amino(phenyl)methylidene]amino]phenyl]benzamide.
What is the SMILES notation for N-[3-[[amino(phenyl)methylidene]amino]phenyl]benzamide?
The canonical SMILES for N-[3-[[amino(phenyl)methylidene]amino]phenyl]benzamide is N/C(=N\c1cccc(NC(=O)c2ccccc2)c1)c1ccccc1.
What is the InChIKey of N-[3-[[amino(phenyl)methylidene]amino]phenyl]benzamide?
The InChIKey is BUFOXWCJVZTVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c21-19(15-8-3-1-4-9-15)22-17-12-7-13-18(14-17)23-20(24)16-10-5-2-6-11-16/h1-14H,(H2,21,22)(H,23,24).
What are the key properties of N-[3-[[amino(phenyl)methylidene]amino]phenyl]benzamide?
N-[3-[[amino(phenyl)methylidene]amino]phenyl]benzamide has a molecular weight of 315.38 g/mol, XLogP of 3.98, 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]benzamide is sourced from PubChem (CID 139891874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).