4-N-[(E)-1-(3-acetamidophenyl)ethylideneamino]benzene-1,4-dicarboxamide

C18H18N4O3 — CID 17349534

IUPAC4-N-[(E)-1-(3-acetamidophenyl)ethylideneamino]benzene-1,4-dicarboxamide
SMILESCC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C18H18N4O3/c1-11(15-4-3-5-16(10-15)20-12(2)23)21-22-18(25)14-8-6-13(7-9-14)17(19)24/h3-10H,1-2H3,(H2,19,24)(H,20,23)(H,22,25)/b21-11+
InChIKeyGDVPCFYLENGSBO-SRZZPIQSSA-N
MW338.37 g/mol
LogP1.90
Rot. Bonds5

About 4-N-[(E)-1-(3-acetamidophenyl)ethylideneamino]benzene-1,4-dicarboxamide

4-N-[(E)-1-(3-acetamidophenyl)ethylideneamino]benzene-1,4-dicarboxamide (PubChem CID 17349534) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 4-N-[(E)-1-(3-acetamidophenyl)ethylideneamino]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(E)-1-(3-acetamidophenyl)ethylideneamino]benzene-1,4-dicarboxamide
PubChem CID17349534
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name4-N-[(E)-1-(3-acetamidophenyl)ethylideneamino]benzene-1,4-dicarboxamide
SMILESCC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C18H18N4O3/c1-11(15-4-3-5-16(10-15)20-12(2)23)21-22-18(25)14-8-6-13(7-9-14)17(19)24/h3-10H,1-2H3,(H2,19,24)(H,20,23)(H,22,25)/b21-11+
InChIKeyGDVPCFYLENGSBO-SRZZPIQSSA-N
XLogP1.90
TPSA113.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-hydroxybenzamide
CID 6217170
N-[3-[(Z)-N-(carbamoylamino)-C-methylcarbonimidoyl]phenyl]acetamide
CID 6020603
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-propan-2-yloxybenzamide
CID 9215676
N-[(E)-1-(3-acetamidophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998171
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-hydroxybenzamide
CID 9077930
3,4-dichloro-N-[1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 3531180
3-chloro-N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 6010239
N'-[1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]oxamide
CID 4185581
N-[(E)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-phenylbenzamide
CID 7308855
N-[1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-phenylbenzamide
CID 3425855
N-[3-(N-benzamido-C-methylcarbonimidoyl)phenyl]furan-2-carboxamide
CID 4548216
4-(dimethylamino)-N-[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 4057400

Frequently Asked Questions

What is the IUPAC name of 4-N-[(E)-1-(3-acetamidophenyl)ethylideneamino]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[(E)-1-(3-acetamidophenyl)ethylideneamino]benzene-1,4-dicarboxamide (CID 17349534) is 4-N-[(E)-1-(3-acetamidophenyl)ethylideneamino]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(E)-1-(3-acetamidophenyl)ethylideneamino]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(E)-1-(3-acetamidophenyl)ethylideneamino]benzene-1,4-dicarboxamide is CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(C(N)=O)cc2)c1.
What is the InChIKey of 4-N-[(E)-1-(3-acetamidophenyl)ethylideneamino]benzene-1,4-dicarboxamide?
The InChIKey is GDVPCFYLENGSBO-SRZZPIQSSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-11(15-4-3-5-16(10-15)20-12(2)23)21-22-18(25)14-8-6-13(7-9-14)17(19)24/h3-10H,1-2H3,(H2,19,24)(H,20,23)(H,22,25)/b21-11+.
What are the key properties of 4-N-[(E)-1-(3-acetamidophenyl)ethylideneamino]benzene-1,4-dicarboxamide?
4-N-[(E)-1-(3-acetamidophenyl)ethylideneamino]benzene-1,4-dicarboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(E)-1-(3-acetamidophenyl)ethylideneamino]benzene-1,4-dicarboxamide is sourced from PubChem (CID 17349534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).