N-(5-amino-5-oxopentyl)-5-chloro-2-hydrazinylbenzamide

C12H17ClN4O2 — CID 106241299

IUPACN-(5-amino-5-oxopentyl)-5-chloro-2-hydrazinylbenzamide
SMILESNNc1ccc(Cl)cc1C(=O)NCCCCC(N)=O
InChIInChI=1S/C12H17ClN4O2/c13-8-4-5-10(17-15)9(7-8)12(19)16-6-2-1-3-11(14)18/h4-5,7,17H,1-3,6,15H2,(H2,14,18)(H,16,19)
InChIKeyICSKCAJJQMCPKQ-UHFFFAOYSA-N
MW284.75 g/mol
LogP1.01
Rot. Bonds7

About N-(5-amino-5-oxopentyl)-5-chloro-2-hydrazinylbenzamide

N-(5-amino-5-oxopentyl)-5-chloro-2-hydrazinylbenzamide (PubChem CID 106241299) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is N-(5-amino-5-oxopentyl)-5-chloro-2-hydrazinylbenzamide.

Molecular Properties

Compound NameN-(5-amino-5-oxopentyl)-5-chloro-2-hydrazinylbenzamide
PubChem CID106241299
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC NameN-(5-amino-5-oxopentyl)-5-chloro-2-hydrazinylbenzamide
SMILESNNc1ccc(Cl)cc1C(=O)NCCCCC(N)=O
InChIInChI=1S/C12H17ClN4O2/c13-8-4-5-10(17-15)9(7-8)12(19)16-6-2-1-3-11(14)18/h4-5,7,17H,1-3,6,15H2,(H2,14,18)(H,16,19)
InChIKeyICSKCAJJQMCPKQ-UHFFFAOYSA-N
XLogP1.01
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 51.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-oxopropyl)-5-chloro-2-hydrazinylbenzamide
CID 62242503
N-butyl-5-chloro-2-hydrazinylbenzamide
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CID 103896306
5-chloro-2-hydrazinyl-N-(2-methoxyethyl)benzamide
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5-chloro-N-(2-ethoxyethyl)-2-hydrazinylbenzamide
CID 62234135
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CID 82883578
5-chloro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide
CID 62248139
5-chloro-2-hydrazinyl-N-(2-thiophen-2-ylethyl)benzamide
CID 62247405
2-amino-N-(3-amino-3-oxopropyl)-4-chlorobenzamide
CID 43553064
ethyl 7-[(2-bromo-5-chlorobenzoyl)amino]heptanoate
CID 78901898
5-chloro-2-hydrazinyl-N-(2-pyridin-2-ylethyl)benzamide
CID 62236376
5-chloro-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]benzamide
CID 62243489

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-oxopentyl)-5-chloro-2-hydrazinylbenzamide?
The IUPAC name of N-(5-amino-5-oxopentyl)-5-chloro-2-hydrazinylbenzamide (CID 106241299) is N-(5-amino-5-oxopentyl)-5-chloro-2-hydrazinylbenzamide.
What is the SMILES notation for N-(5-amino-5-oxopentyl)-5-chloro-2-hydrazinylbenzamide?
The canonical SMILES for N-(5-amino-5-oxopentyl)-5-chloro-2-hydrazinylbenzamide is NNc1ccc(Cl)cc1C(=O)NCCCCC(N)=O.
What is the InChIKey of N-(5-amino-5-oxopentyl)-5-chloro-2-hydrazinylbenzamide?
The InChIKey is ICSKCAJJQMCPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c13-8-4-5-10(17-15)9(7-8)12(19)16-6-2-1-3-11(14)18/h4-5,7,17H,1-3,6,15H2,(H2,14,18)(H,16,19).
What are the key properties of N-(5-amino-5-oxopentyl)-5-chloro-2-hydrazinylbenzamide?
N-(5-amino-5-oxopentyl)-5-chloro-2-hydrazinylbenzamide has a molecular weight of 284.75 g/mol, XLogP of 1.01, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-oxopentyl)-5-chloro-2-hydrazinylbenzamide is sourced from PubChem (CID 106241299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).