2-amino-N-(ethylideneamino)benzamide

C9H11N3O — CID 171131868

IUPAC2-amino-N-(ethylideneamino)benzamide
SMILESCC=NNC(=O)c1ccccc1N
InChIInChI=1S/C9H11N3O/c1-2-11-12-9(13)7-5-3-4-6-8(7)10/h2-6H,10H2,1H3,(H,12,13)
InChIKeyHKBDDJJCOJAVHF-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.00
Rot. Bonds2

About 2-amino-N-(ethylideneamino)benzamide

2-amino-N-(ethylideneamino)benzamide (PubChem CID 171131868) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-amino-N-(ethylideneamino)benzamide.

Molecular Properties

Compound Name2-amino-N-(ethylideneamino)benzamide
PubChem CID171131868
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2-amino-N-(ethylideneamino)benzamide
SMILESCC=NNC(=O)c1ccccc1N
InChIInChI=1S/C9H11N3O/c1-2-11-12-9(13)7-5-3-4-6-8(7)10/h2-6H,10H2,1H3,(H,12,13)
InChIKeyHKBDDJJCOJAVHF-UHFFFAOYSA-N
XLogP1.00
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.00
H-Bond Donors ≤ 52
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

2-amino-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
CID 3395739
2-amino-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 680916
2-amino-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 87421764
2-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
CID 5407743
N-[(E)-ethylideneamino]-2-hydroxy-3-methylbenzamide
CID 20646050
2-amino-N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 135699493
2-amino-N-[(5-iodofuran-2-yl)methylideneamino]benzamide
CID 1355503
2-amino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135770382
2-amino-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide
CID 5332716
2-amino-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide
CID 110337136
2-amino-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]benzamide
CID 5397551
methyl 2-[4-[(Z)-[(2-aminobenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 5426953

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(ethylideneamino)benzamide?
The IUPAC name of 2-amino-N-(ethylideneamino)benzamide (CID 171131868) is 2-amino-N-(ethylideneamino)benzamide.
What is the SMILES notation for 2-amino-N-(ethylideneamino)benzamide?
The canonical SMILES for 2-amino-N-(ethylideneamino)benzamide is CC=NNC(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-(ethylideneamino)benzamide?
The InChIKey is HKBDDJJCOJAVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-2-11-12-9(13)7-5-3-4-6-8(7)10/h2-6H,10H2,1H3,(H,12,13).
What are the key properties of 2-amino-N-(ethylideneamino)benzamide?
2-amino-N-(ethylideneamino)benzamide has a molecular weight of 177.21 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(ethylideneamino)benzamide is sourced from PubChem (CID 171131868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).