4-acetamido-N-[(E)-1H-benzo[g]indol-3-ylmethylideneamino]benzamide

C22H18N4O2 — CID 135647006

IUPAC4-acetamido-N-[(E)-1H-benzo[g]indol-3-ylmethylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N/N=C/c2c[nH]c3c2ccc2ccccc23)cc1
InChIInChI=1S/C22H18N4O2/c1-14(27)25-18-9-6-16(7-10-18)22(28)26-24-13-17-12-23-21-19-5-3-2-4-15(19)8-11-20(17)21/h2-13,23H,1H3,(H,25,27)(H,26,28)/b24-13+
InChIKeyHYGDDSQOGKGPRF-ZMOGYAJESA-N
MW370.41 g/mol
LogP4.04
Rot. Bonds4

About 4-acetamido-N-[(E)-1H-benzo[g]indol-3-ylmethylideneamino]benzamide

4-acetamido-N-[(E)-1H-benzo[g]indol-3-ylmethylideneamino]benzamide (PubChem CID 135647006) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-acetamido-N-[(E)-1H-benzo[g]indol-3-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(E)-1H-benzo[g]indol-3-ylmethylideneamino]benzamide
PubChem CID135647006
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name4-acetamido-N-[(E)-1H-benzo[g]indol-3-ylmethylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N/N=C/c2c[nH]c3c2ccc2ccccc23)cc1
InChIInChI=1S/C22H18N4O2/c1-14(27)25-18-9-6-16(7-10-18)22(28)26-24-13-17-12-23-21-19-5-3-2-4-15(19)8-11-20(17)21/h2-13,23H,1H3,(H,25,27)(H,26,28)/b24-13+
InChIKeyHYGDDSQOGKGPRF-ZMOGYAJESA-N
XLogP4.04
TPSA86.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1H-benzo[g]indol-3-ylmethylideneamino)-4-methylbenzamide
CID 136593729
N-(1H-benzo[g]indol-3-ylmethylideneamino)-4-(benzylamino)benzamide
CID 3526292
4-acetamido-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 966653
N-[(E)-1H-indol-3-ylmethylideneamino]-4-(pentanoylamino)benzamide
CID 135678489
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
4-acetamido-N-[(Z)-benzylideneamino]benzamide
CID 5397950
4-fluoro-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 4293070
4-ethoxy-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135702030
N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5397614
4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136851986
3-acetamido-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135684551
4-(2-anilino-2-oxoethoxy)-N-(1H-indol-3-ylmethylideneamino)benzamide
CID 3694322

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(E)-1H-benzo[g]indol-3-ylmethylideneamino]benzamide?
The IUPAC name of 4-acetamido-N-[(E)-1H-benzo[g]indol-3-ylmethylideneamino]benzamide (CID 135647006) is 4-acetamido-N-[(E)-1H-benzo[g]indol-3-ylmethylideneamino]benzamide.
What is the SMILES notation for 4-acetamido-N-[(E)-1H-benzo[g]indol-3-ylmethylideneamino]benzamide?
The canonical SMILES for 4-acetamido-N-[(E)-1H-benzo[g]indol-3-ylmethylideneamino]benzamide is CC(=O)Nc1ccc(C(=O)N/N=C/c2c[nH]c3c2ccc2ccccc23)cc1.
What is the InChIKey of 4-acetamido-N-[(E)-1H-benzo[g]indol-3-ylmethylideneamino]benzamide?
The InChIKey is HYGDDSQOGKGPRF-ZMOGYAJESA-N. The full InChI is InChI=1S/C22H18N4O2/c1-14(27)25-18-9-6-16(7-10-18)22(28)26-24-13-17-12-23-21-19-5-3-2-4-15(19)8-11-20(17)21/h2-13,23H,1H3,(H,25,27)(H,26,28)/b24-13+.
What are the key properties of 4-acetamido-N-[(E)-1H-benzo[g]indol-3-ylmethylideneamino]benzamide?
4-acetamido-N-[(E)-1H-benzo[g]indol-3-ylmethylideneamino]benzamide has a molecular weight of 370.41 g/mol, XLogP of 4.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(E)-1H-benzo[g]indol-3-ylmethylideneamino]benzamide is sourced from PubChem (CID 135647006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).