N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide

C28H26N4O2 — CID 139337158

IUPACN-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(NNc3ccc(C(=O)Nc4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C28H26N4O2/c1-19-3-11-23(12-4-19)29-27(33)21-7-15-25(16-8-21)31-32-26-17-9-22(10-18-26)28(34)30-24-13-5-20(2)6-14-24/h3-18,31-32H,1-2H3,(H,29,33)(H,30,34)
InChIKeyPHQROHBPEONCGS-UHFFFAOYSA-N
MW450.54 g/mol
LogP6.25
Rot. Bonds7

About N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide

N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide (PubChem CID 139337158) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
PubChem CID139337158
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC NameN-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(NNc3ccc(C(=O)Nc4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C28H26N4O2/c1-19-3-11-23(12-4-19)29-27(33)21-7-15-25(16-8-21)31-32-26-17-9-22(10-18-26)28(34)30-24-13-5-20(2)6-14-24/h3-18,31-32H,1-2H3,(H,29,33)(H,30,34)
InChIKeyPHQROHBPEONCGS-UHFFFAOYSA-N
XLogP6.25
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 56.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 2330632
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330
4-carbamothioyl-N-(4-methylphenyl)benzamide
CID 24707290
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
N-[4-(bromomethyl)phenyl]-4-methylbenzamide
CID 113274673
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718
(4-methylphenyl) 4-[(4-methylbenzoyl)amino]benzoate
CID 71408981
propan-2-yl 4-[(4-methylbenzoyl)amino]benzoate
CID 718345
4-methyl-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106909933
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide?
The IUPAC name of N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide (CID 139337158) is N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide.
What is the SMILES notation for N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide?
The canonical SMILES for N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide is Cc1ccc(NC(=O)c2ccc(NNc3ccc(C(=O)Nc4ccc(C)cc4)cc3)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide?
The InChIKey is PHQROHBPEONCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c1-19-3-11-23(12-4-19)29-27(33)21-7-15-25(16-8-21)31-32-26-17-9-22(10-18-26)28(34)30-24-13-5-20(2)6-14-24/h3-18,31-32H,1-2H3,(H,29,33)(H,30,34).
What are the key properties of N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide?
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide has a molecular weight of 450.54 g/mol, XLogP of 6.25, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide is sourced from PubChem (CID 139337158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).