N-butyl-5-chloro-2-hydrazinylbenzamide

C11H16ClN3O — CID 62238150

IUPACN-butyl-5-chloro-2-hydrazinylbenzamide
SMILESCCCCNC(=O)c1cc(Cl)ccc1NN
InChIInChI=1S/C11H16ClN3O/c1-2-3-6-14-11(16)9-7-8(12)4-5-10(9)15-13/h4-5,7,15H,2-3,6,13H2,1H3,(H,14,16)
InChIKeyVWIBCTKCKSMBGA-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.16
Rot. Bonds5

About N-butyl-5-chloro-2-hydrazinylbenzamide

N-butyl-5-chloro-2-hydrazinylbenzamide (PubChem CID 62238150) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is N-butyl-5-chloro-2-hydrazinylbenzamide.

Molecular Properties

Compound NameN-butyl-5-chloro-2-hydrazinylbenzamide
PubChem CID62238150
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC NameN-butyl-5-chloro-2-hydrazinylbenzamide
SMILESCCCCNC(=O)c1cc(Cl)ccc1NN
InChIInChI=1S/C11H16ClN3O/c1-2-3-6-14-11(16)9-7-8(12)4-5-10(9)15-13/h4-5,7,15H,2-3,6,13H2,1H3,(H,14,16)
InChIKeyVWIBCTKCKSMBGA-UHFFFAOYSA-N
XLogP2.16
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(5-amino-5-oxopentyl)-5-chloro-2-hydrazinylbenzamide
CID 106241299
5-chloro-2-hydrazinyl-N-(2-methoxyethyl)benzamide
CID 62235921
5-chloro-N-(2-ethoxyethyl)-2-hydrazinylbenzamide
CID 62234135
N-(3-amino-3-oxopropyl)-5-chloro-2-hydrazinylbenzamide
CID 62242503
N-butyl-4-chloro-2-iodobenzamide
CID 172647444
5-chloro-2-fluoro-N-octylbenzamide
CID 113337139
5-chloro-2-hydrazinyl-N-octan-2-ylbenzamide
CID 62247800
sodium;N-butyl-4-chloro-2-hydroxybenzamide;hydride
CID 174574548
N-(3-aminopropyl)-5-chloro-2-methylbenzamide
CID 82883577
5-chloro-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]benzamide
CID 62243489
2,4-dichloro-N-nonylbenzamide
CID 3596264
ethyl 4-[(5-chloro-2-methylbenzoyl)amino]butanoate
CID 113329829

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-chloro-2-hydrazinylbenzamide?
The IUPAC name of N-butyl-5-chloro-2-hydrazinylbenzamide (CID 62238150) is N-butyl-5-chloro-2-hydrazinylbenzamide.
What is the SMILES notation for N-butyl-5-chloro-2-hydrazinylbenzamide?
The canonical SMILES for N-butyl-5-chloro-2-hydrazinylbenzamide is CCCCNC(=O)c1cc(Cl)ccc1NN.
What is the InChIKey of N-butyl-5-chloro-2-hydrazinylbenzamide?
The InChIKey is VWIBCTKCKSMBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-2-3-6-14-11(16)9-7-8(12)4-5-10(9)15-13/h4-5,7,15H,2-3,6,13H2,1H3,(H,14,16).
What are the key properties of N-butyl-5-chloro-2-hydrazinylbenzamide?
N-butyl-5-chloro-2-hydrazinylbenzamide has a molecular weight of 241.72 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-chloro-2-hydrazinylbenzamide is sourced from PubChem (CID 62238150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).