N-[4-[bis(4-formamidophenyl)methyl]phenyl]formamide

C22H19N3O3 — CID 22490733

IUPACN-[4-[bis(4-formamidophenyl)methyl]phenyl]formamide
SMILESO=CNc1ccc(C(c2ccc(NC=O)cc2)c2ccc(NC=O)cc2)cc1
InChIInChI=1S/C22H19N3O3/c26-13-23-19-7-1-16(2-8-19)22(17-3-9-20(10-4-17)24-14-27)18-5-11-21(12-6-18)25-15-28/h1-15,22H,(H,23,26)(H,24,27)(H,25,28)
InChIKeyYZIYJNRTEIPRBV-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.57
Rot. Bonds9

About N-[4-[bis(4-formamidophenyl)methyl]phenyl]formamide

N-[4-[bis(4-formamidophenyl)methyl]phenyl]formamide (PubChem CID 22490733) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[4-[bis(4-formamidophenyl)methyl]phenyl]formamide.

Molecular Properties

Compound NameN-[4-[bis(4-formamidophenyl)methyl]phenyl]formamide
PubChem CID22490733
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-[4-[bis(4-formamidophenyl)methyl]phenyl]formamide
SMILESO=CNc1ccc(C(c2ccc(NC=O)cc2)c2ccc(NC=O)cc2)cc1
InChIInChI=1S/C22H19N3O3/c26-13-23-19-7-1-16(2-8-19)22(17-3-9-20(10-4-17)24-14-27)18-5-11-21(12-6-18)25-15-28/h1-15,22H,(H,23,26)(H,24,27)(H,25,28)
InChIKeyYZIYJNRTEIPRBV-UHFFFAOYSA-N
XLogP3.57
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[bis(4-formamidophenyl)methyl]phenyl]formamide?
The IUPAC name of N-[4-[bis(4-formamidophenyl)methyl]phenyl]formamide (CID 22490733) is N-[4-[bis(4-formamidophenyl)methyl]phenyl]formamide.
What is the SMILES notation for N-[4-[bis(4-formamidophenyl)methyl]phenyl]formamide?
The canonical SMILES for N-[4-[bis(4-formamidophenyl)methyl]phenyl]formamide is O=CNc1ccc(C(c2ccc(NC=O)cc2)c2ccc(NC=O)cc2)cc1.
What is the InChIKey of N-[4-[bis(4-formamidophenyl)methyl]phenyl]formamide?
The InChIKey is YZIYJNRTEIPRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c26-13-23-19-7-1-16(2-8-19)22(17-3-9-20(10-4-17)24-14-27)18-5-11-21(12-6-18)25-15-28/h1-15,22H,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of N-[4-[bis(4-formamidophenyl)methyl]phenyl]formamide?
N-[4-[bis(4-formamidophenyl)methyl]phenyl]formamide has a molecular weight of 373.41 g/mol, XLogP of 3.57, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[bis(4-formamidophenyl)methyl]phenyl]formamide is sourced from PubChem (CID 22490733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).