4-formyl-N-[[(4-formylbenzoyl)amino]methyl]benzamide

C17H14N2O4 — CID 88940421

IUPAC4-formyl-N-[[(4-formylbenzoyl)amino]methyl]benzamide
SMILESO=Cc1ccc(C(=O)NCNC(=O)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C17H14N2O4/c20-9-12-1-5-14(6-2-12)16(22)18-11-19-17(23)15-7-3-13(10-21)4-8-15/h1-10H,11H2,(H,18,22)(H,19,23)
InChIKeyCTIQKYYRMWGDDR-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.43
Rot. Bonds6

About 4-formyl-N-[[(4-formylbenzoyl)amino]methyl]benzamide

4-formyl-N-[[(4-formylbenzoyl)amino]methyl]benzamide (PubChem CID 88940421) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 4-formyl-N-[[(4-formylbenzoyl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-formyl-N-[[(4-formylbenzoyl)amino]methyl]benzamide
PubChem CID88940421
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name4-formyl-N-[[(4-formylbenzoyl)amino]methyl]benzamide
SMILESO=Cc1ccc(C(=O)NCNC(=O)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C17H14N2O4/c20-9-12-1-5-14(6-2-12)16(22)18-11-19-17(23)15-7-3-13(10-21)4-8-15/h1-10H,11H2,(H,18,22)(H,19,23)
InChIKeyCTIQKYYRMWGDDR-UHFFFAOYSA-N
XLogP1.43
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-butyl-4-formylbenzamide
CID 118474745
N-(2-ethyl-2-hydroxybutyl)-4-formylbenzamide
CID 111463479
2-[(4-formylbenzoyl)amino]ethanesulfonic acid
CID 15250596
4-formyl-N-octylbenzamide
CID 59691779
4-formyl-N-(2-phenylethyl)benzamide
CID 12773386
4-formyl-N-tricosylbenzamide
CID 166066746
4-[2-(4-formylphenyl)-2-oxoacetyl]benzaldehyde
CID 641325
4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide
CID 22949694
N-[2-(4-fluorophenyl)ethyl]-4-formylbenzamide
CID 87952019
4-formyl-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111446164
4-formyl-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
CID 111463682
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-formylbenzamide
CID 89427030

Frequently Asked Questions

What is the IUPAC name of 4-formyl-N-[[(4-formylbenzoyl)amino]methyl]benzamide?
The IUPAC name of 4-formyl-N-[[(4-formylbenzoyl)amino]methyl]benzamide (CID 88940421) is 4-formyl-N-[[(4-formylbenzoyl)amino]methyl]benzamide.
What is the SMILES notation for 4-formyl-N-[[(4-formylbenzoyl)amino]methyl]benzamide?
The canonical SMILES for 4-formyl-N-[[(4-formylbenzoyl)amino]methyl]benzamide is O=Cc1ccc(C(=O)NCNC(=O)c2ccc(C=O)cc2)cc1.
What is the InChIKey of 4-formyl-N-[[(4-formylbenzoyl)amino]methyl]benzamide?
The InChIKey is CTIQKYYRMWGDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c20-9-12-1-5-14(6-2-12)16(22)18-11-19-17(23)15-7-3-13(10-21)4-8-15/h1-10H,11H2,(H,18,22)(H,19,23).
What are the key properties of 4-formyl-N-[[(4-formylbenzoyl)amino]methyl]benzamide?
4-formyl-N-[[(4-formylbenzoyl)amino]methyl]benzamide has a molecular weight of 310.31 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N-[[(4-formylbenzoyl)amino]methyl]benzamide is sourced from PubChem (CID 88940421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).