N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzamide

C10H13N3O2 — CID 17349905

IUPACN-(2-hydrazinyl-2-oxoethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NN)cc1
InChIInChI=1S/C10H13N3O2/c1-7-2-4-8(5-3-7)10(15)12-6-9(14)13-11/h2-5H,6,11H2,1H3,(H,12,15)(H,13,14)
InChIKeyKEKIQEZZADFXSH-UHFFFAOYSA-N
MW207.23 g/mol
LogP-0.29
Rot. Bonds3

About N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzamide

N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzamide (PubChem CID 17349905) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-hydrazinyl-2-oxoethyl)-4-methylbenzamide
PubChem CID17349905
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC NameN-(2-hydrazinyl-2-oxoethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NN)cc1
InChIInChI=1S/C10H13N3O2/c1-7-2-4-8(5-3-7)10(15)12-6-9(14)13-11/h2-5H,6,11H2,1H3,(H,12,15)(H,13,14)
InChIKeyKEKIQEZZADFXSH-UHFFFAOYSA-N
XLogP-0.29
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 792434
ethane;4-methylbenzohydrazide
CID 143952809
N-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-methylbenzamide
CID 43389073
4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 17349908
N-(2-anilino-2-oxoethyl)-4-methylbenzamide
CID 4010991
4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 18110113
3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 43360766
4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2989490
(2S)-3-methyl-2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 54494581
N-[2-(cyclopentylamino)-2-oxoethyl]-4-methylbenzamide
CID 1262280
N-[2-(3,5-dichloroanilino)-2-oxoethyl]-4-methylbenzamide
CID 46756068
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-4-methylbenzamide
CID 46745022

Frequently Asked Questions

What is the IUPAC name of N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzamide?
The IUPAC name of N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzamide (CID 17349905) is N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzamide.
What is the SMILES notation for N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzamide?
The canonical SMILES for N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzamide is Cc1ccc(C(=O)NCC(=O)NN)cc1.
What is the InChIKey of N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzamide?
The InChIKey is KEKIQEZZADFXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7-2-4-8(5-3-7)10(15)12-6-9(14)13-11/h2-5H,6,11H2,1H3,(H,12,15)(H,13,14).
What are the key properties of N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzamide?
N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzamide has a molecular weight of 207.23 g/mol, XLogP of -0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzamide is sourced from PubChem (CID 17349905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).