4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide

C16H14N4O — CID 136851986

IUPAC4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C\c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C16H14N4O/c17-13-7-5-11(6-8-13)16(21)20-19-10-12-9-18-15-4-2-1-3-14(12)15/h1-10,18H,17H2,(H,20,21)/b19-10-
InChIKeyDNOUEHZWQLCZLP-GRSHGNNSSA-N
MW278.31 g/mol
LogP2.51
Rot. Bonds3

About 4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide

4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide (PubChem CID 136851986) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
PubChem CID136851986
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C\c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C16H14N4O/c17-13-7-5-11(6-8-13)16(21)20-19-10-12-9-18-15-4-2-1-3-14(12)15/h1-10,18H,17H2,(H,20,21)/b19-10-
InChIKeyDNOUEHZWQLCZLP-GRSHGNNSSA-N
XLogP2.51
TPSA83.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide
CID 5488
N-[(Z)-1H-indol-3-ylmethylideneamino]-1-oxidopyridin-1-ium-4-carboxamide
CID 137189888
N-[(E)-1H-indol-3-ylmethylideneamino]-4-pyrrolidin-1-ylbenzamide
CID 135818917
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
4-(benzenesulfonamido)-N-(1H-indol-3-ylmethylideneamino)benzamide
CID 3484834
N-[(E)-1H-indol-3-ylmethylideneamino]-4-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethoxy]benzamide
CID 135704652
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide
CID 135604376
3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135472516
N-[(E)-1H-indol-3-ylmethylideneamino]-3H-benzimidazole-5-carboxamide
CID 135704659
2-benzamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135479703
5-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-[(Z)-1H-indol-3-ylmethylideneamino]furan-2,5-dicarboxamide
CID 135782076

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide (CID 136851986) is 4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide is Nc1ccc(C(=O)N/N=C\c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide?
The InChIKey is DNOUEHZWQLCZLP-GRSHGNNSSA-N. The full InChI is InChI=1S/C16H14N4O/c17-13-7-5-11(6-8-13)16(21)20-19-10-12-9-18-15-4-2-1-3-14(12)15/h1-10,18H,17H2,(H,20,21)/b19-10-.
What are the key properties of 4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide?
4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide has a molecular weight of 278.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide is sourced from PubChem (CID 136851986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).