N-(3-amino-3-oxopropyl)-5-chloro-2-hydrazinylbenzamide

C10H13ClN4O2 — CID 62242503

IUPACN-(3-amino-3-oxopropyl)-5-chloro-2-hydrazinylbenzamide
SMILESNNc1ccc(Cl)cc1C(=O)NCCC(N)=O
InChIInChI=1S/C10H13ClN4O2/c11-6-1-2-8(15-13)7(5-6)10(17)14-4-3-9(12)16/h1-2,5,15H,3-4,13H2,(H2,12,16)(H,14,17)
InChIKeyAWDNMTSPNNQRIR-UHFFFAOYSA-N
MW256.69 g/mol
LogP0.23
Rot. Bonds5

About N-(3-amino-3-oxopropyl)-5-chloro-2-hydrazinylbenzamide

N-(3-amino-3-oxopropyl)-5-chloro-2-hydrazinylbenzamide (PubChem CID 62242503) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-5-chloro-2-hydrazinylbenzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-5-chloro-2-hydrazinylbenzamide
PubChem CID62242503
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC NameN-(3-amino-3-oxopropyl)-5-chloro-2-hydrazinylbenzamide
SMILESNNc1ccc(Cl)cc1C(=O)NCCC(N)=O
InChIInChI=1S/C10H13ClN4O2/c11-6-1-2-8(15-13)7(5-6)10(17)14-4-3-9(12)16/h1-2,5,15H,3-4,13H2,(H2,12,16)(H,14,17)
InChIKeyAWDNMTSPNNQRIR-UHFFFAOYSA-N
XLogP0.23
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-5-oxopentyl)-5-chloro-2-hydrazinylbenzamide
CID 106241299
5-chloro-2-hydrazinyl-N-(2-methoxyethyl)benzamide
CID 62235921
N-butyl-5-chloro-2-hydrazinylbenzamide
CID 62238150
2-amino-N-(3-amino-3-oxopropyl)-4-chlorobenzamide
CID 43553064
5-chloro-N-(2-ethoxyethyl)-2-hydrazinylbenzamide
CID 62234135
5-chloro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide
CID 62248139
5-chloro-2-hydrazinyl-N-(2-thiophen-2-ylethyl)benzamide
CID 62247405
N-(5-amino-5-oxopentyl)-5-chloro-2-iodobenzamide
CID 103896306
5-chloro-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 62175200
5-chloro-2-hydrazinyl-N-(2-pyridin-2-ylethyl)benzamide
CID 62236376
5-chloro-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]benzamide
CID 62243489
5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106423147

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-5-chloro-2-hydrazinylbenzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-5-chloro-2-hydrazinylbenzamide (CID 62242503) is N-(3-amino-3-oxopropyl)-5-chloro-2-hydrazinylbenzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-5-chloro-2-hydrazinylbenzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-5-chloro-2-hydrazinylbenzamide is NNc1ccc(Cl)cc1C(=O)NCCC(N)=O.
What is the InChIKey of N-(3-amino-3-oxopropyl)-5-chloro-2-hydrazinylbenzamide?
The InChIKey is AWDNMTSPNNQRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c11-6-1-2-8(15-13)7(5-6)10(17)14-4-3-9(12)16/h1-2,5,15H,3-4,13H2,(H2,12,16)(H,14,17).
What are the key properties of N-(3-amino-3-oxopropyl)-5-chloro-2-hydrazinylbenzamide?
N-(3-amino-3-oxopropyl)-5-chloro-2-hydrazinylbenzamide has a molecular weight of 256.69 g/mol, XLogP of 0.23, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-5-chloro-2-hydrazinylbenzamide is sourced from PubChem (CID 62242503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).