3-methyl-N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]benzamide

C21H20N4O3 — CID 7677873

IUPAC3-methyl-N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]benzamide
SMILESCc1cccc(C(=O)NCC(=O)NNC(=O)c2ccccc2-n2cccc2)c1
InChIInChI=1S/C21H20N4O3/c1-15-7-6-8-16(13-15)20(27)22-14-19(26)23-24-21(28)17-9-2-3-10-18(17)25-11-4-5-12-25/h2-13H,14H2,1H3,(H,22,27)(H,23,26)(H,24,28)
InChIKeyCEAJBYKPNWVXDW-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.98
Rot. Bonds5

About 3-methyl-N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]benzamide

3-methyl-N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]benzamide (PubChem CID 7677873) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-methyl-N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]benzamide
PubChem CID7677873
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name3-methyl-N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]benzamide
SMILESCc1cccc(C(=O)NCC(=O)NNC(=O)c2ccccc2-n2cccc2)c1
InChIInChI=1S/C21H20N4O3/c1-15-7-6-8-16(13-15)20(27)22-14-19(26)23-24-21(28)17-9-2-3-10-18(17)25-11-4-5-12-25/h2-13H,14H2,1H3,(H,22,27)(H,23,26)(H,24,28)
InChIKeyCEAJBYKPNWVXDW-UHFFFAOYSA-N
XLogP1.98
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.98
H-Bond Donors ≤ 53
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'-(3-methylbenzoyl)-2-pyrrol-1-ylbenzohydrazide
CID 1481245
3-methyl-N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 40717303
N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 9496139
N-[2-[2-(5-ethyl-4-methylthiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 25433723
N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]adamantane-1-carboxamide
CID 4807831
N-[2-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 18280546
N'-[3-(4-methylphenoxy)propanoyl]-2-pyrrol-1-ylbenzohydrazide
CID 9313933
3-methyl-N-phenacylbenzamide
CID 3417494
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-3-fluorobenzamide
CID 35929184
N-[2-(2-chloroanilino)-2-oxoethyl]-3-methylbenzamide
CID 9411308
[2-[2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 24980263
N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylbenzamide
CID 8699091

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]benzamide?
The IUPAC name of 3-methyl-N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]benzamide (CID 7677873) is 3-methyl-N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]benzamide is Cc1cccc(C(=O)NCC(=O)NNC(=O)c2ccccc2-n2cccc2)c1.
What is the InChIKey of 3-methyl-N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]benzamide?
The InChIKey is CEAJBYKPNWVXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-15-7-6-8-16(13-15)20(27)22-14-19(26)23-24-21(28)17-9-2-3-10-18(17)25-11-4-5-12-25/h2-13H,14H2,1H3,(H,22,27)(H,23,26)(H,24,28).
What are the key properties of 3-methyl-N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]benzamide?
3-methyl-N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]benzamide has a molecular weight of 376.42 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 7677873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).