N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide

C25H24N4O4 — CID 3829740

IUPACN-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C(=O)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C25H24N4O4/c1-16-12-14-19(15-13-16)23(31)27-21-11-7-6-10-20(21)25(33)26-17(2)22(30)28-29-24(32)18-8-4-3-5-9-18/h3-15,17H,1-2H3,(H,26,33)(H,27,31)(H,28,30)(H,29,32)
InChIKeyGQSIVEWTPKPYRA-UHFFFAOYSA-N
MW444.49 g/mol
LogP2.83
Rot. Bonds6

About N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide

N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide (PubChem CID 3829740) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide
PubChem CID3829740
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC NameN-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C(=O)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C25H24N4O4/c1-16-12-14-19(15-13-16)23(31)27-21-11-7-6-10-20(21)25(33)26-17(2)22(30)28-29-24(32)18-8-4-3-5-9-18/h3-15,17H,1-2H3,(H,26,33)(H,27,31)(H,28,30)(H,29,32)
InChIKeyGQSIVEWTPKPYRA-UHFFFAOYSA-N
XLogP2.83
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 52.83
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

2-benzamido-N-[1-(2-benzoylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide
CID 3455596
N-[(2R)-butan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide
CID 893770
N-butan-2-yl-2-[(4-methylbenzoyl)amino]benzamide
CID 2942993
2-[(4-methylbenzoyl)amino]-N-phenylbenzamide
CID 913419
2-[(4-methoxybenzoyl)amino]-N-[1-[2-(4-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3123973
4-bromo-N-[2-[(2-methylpropanoylamino)carbamoyl]phenyl]benzamide
CID 126011313
2-benzamido-N-(4-hydroxybutan-2-yl)benzamide
CID 3497950
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 33275819
2-benzamido-N-[(2S)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl]benzamide
CID 1339681
2-benzamido-N-[(2S)-1-phenylpropan-2-yl]benzamide
CID 51412226
2-[[4-[(4-methylphenyl)sulfanylmethyl]benzoyl]amino]-N-(1-phenylethyl)benzamide
CID 3950868
2,4-dimethyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]benzamide
CID 26242918

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide?
The IUPAC name of N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide (CID 3829740) is N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide.
What is the SMILES notation for N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide?
The canonical SMILES for N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide is Cc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C(=O)NNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide?
The InChIKey is GQSIVEWTPKPYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-16-12-14-19(15-13-16)23(31)27-21-11-7-6-10-20(21)25(33)26-17(2)22(30)28-29-24(32)18-8-4-3-5-9-18/h3-15,17H,1-2H3,(H,26,33)(H,27,31)(H,28,30)(H,29,32).
What are the key properties of N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide?
N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide has a molecular weight of 444.49 g/mol, XLogP of 2.83, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide is sourced from PubChem (CID 3829740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).