N-[4-[(2-methylhydrazinyl)methyl]phenyl]benzamide;hydrobromide

C15H18BrN3O — CID 161255145

IUPACN-[4-[(2-methylhydrazinyl)methyl]phenyl]benzamide;hydrobromide
SMILESBr.CNNCc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C15H17N3O.BrH/c1-16-17-11-12-7-9-14(10-8-12)18-15(19)13-5-3-2-4-6-13;/h2-10,16-17H,11H2,1H3,(H,18,19);1H
InChIKeyVBUSFWKMNWSCTE-UHFFFAOYSA-N
MW336.23 g/mol
LogP2.74
Rot. Bonds5

About N-[4-[(2-methylhydrazinyl)methyl]phenyl]benzamide;hydrobromide

N-[4-[(2-methylhydrazinyl)methyl]phenyl]benzamide;hydrobromide (PubChem CID 161255145) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is N-[4-[(2-methylhydrazinyl)methyl]phenyl]benzamide;hydrobromide.

Molecular Properties

Compound NameN-[4-[(2-methylhydrazinyl)methyl]phenyl]benzamide;hydrobromide
PubChem CID161255145
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC NameN-[4-[(2-methylhydrazinyl)methyl]phenyl]benzamide;hydrobromide
SMILESBr.CNNCc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C15H17N3O.BrH/c1-16-17-11-12-7-9-14(10-8-12)18-15(19)13-5-3-2-4-6-13;/h2-10,16-17H,11H2,1H3,(H,18,19);1H
InChIKeyVBUSFWKMNWSCTE-UHFFFAOYSA-N
XLogP2.74
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methylhydrazinyl)methyl]phenyl]benzamide;hydrobromide?
The IUPAC name of N-[4-[(2-methylhydrazinyl)methyl]phenyl]benzamide;hydrobromide (CID 161255145) is N-[4-[(2-methylhydrazinyl)methyl]phenyl]benzamide;hydrobromide.
What is the SMILES notation for N-[4-[(2-methylhydrazinyl)methyl]phenyl]benzamide;hydrobromide?
The canonical SMILES for N-[4-[(2-methylhydrazinyl)methyl]phenyl]benzamide;hydrobromide is Br.CNNCc1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[(2-methylhydrazinyl)methyl]phenyl]benzamide;hydrobromide?
The InChIKey is VBUSFWKMNWSCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O.BrH/c1-16-17-11-12-7-9-14(10-8-12)18-15(19)13-5-3-2-4-6-13;/h2-10,16-17H,11H2,1H3,(H,18,19);1H.
What are the key properties of N-[4-[(2-methylhydrazinyl)methyl]phenyl]benzamide;hydrobromide?
N-[4-[(2-methylhydrazinyl)methyl]phenyl]benzamide;hydrobromide has a molecular weight of 336.23 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methylhydrazinyl)methyl]phenyl]benzamide;hydrobromide is sourced from PubChem (CID 161255145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).