N-[(2-bromophenyl)methyl]-4-hydrazinyl-3-methylbenzamide

C15H16BrN3O — CID 63211705

IUPACN-[(2-bromophenyl)methyl]-4-hydrazinyl-3-methylbenzamide
SMILESCc1cc(C(=O)NCc2ccccc2Br)ccc1NN
InChIInChI=1S/C15H16BrN3O/c1-10-8-11(6-7-14(10)19-17)15(20)18-9-12-4-2-3-5-13(12)16/h2-8,19H,9,17H2,1H3,(H,18,20)
InChIKeyAOIKPJDEAIHWPZ-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.97
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-4-hydrazinyl-3-methylbenzamide

N-[(2-bromophenyl)methyl]-4-hydrazinyl-3-methylbenzamide (PubChem CID 63211705) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-4-hydrazinyl-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-4-hydrazinyl-3-methylbenzamide
PubChem CID63211705
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC NameN-[(2-bromophenyl)methyl]-4-hydrazinyl-3-methylbenzamide
SMILESCc1cc(C(=O)NCc2ccccc2Br)ccc1NN
InChIInChI=1S/C15H16BrN3O/c1-10-8-11(6-7-14(10)19-17)15(20)18-9-12-4-2-3-5-13(12)16/h2-8,19H,9,17H2,1H3,(H,18,20)
InChIKeyAOIKPJDEAIHWPZ-UHFFFAOYSA-N
XLogP2.97
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[(2-bromophenyl)methyl]-3,4-dimethylbenzamide
CID 60739135
4-[(2-bromophenyl)methylamino]-N,3-dimethylbenzamide
CID 43740131
N-[(2-bromophenyl)methyl]-3-methylbenzamide
CID 60739134
N-[(4-chlorophenyl)methyl]-4-hydrazinyl-3-methylbenzamide
CID 63211678
4-bromo-N-[(2-fluorophenyl)methyl]-3-methylbenzamide
CID 113396747
3-amino-N-[(2-bromophenyl)methyl]-4-chlorobenzamide
CID 61401723
3,5-diamino-N-[(2-bromophenyl)methyl]benzamide
CID 61401694
3-amino-N-[(2-bromophenyl)methyl]-4-methoxybenzamide
CID 61401758
N-[(2-bromophenyl)methyl]-4-(N'-hydroxycarbamimidoyl)benzamide
CID 76903721
1-[(2-bromophenyl)methyl]-3-(2,4-dimethylphenyl)urea
CID 108897860
3-(aminomethyl)-N-[(2-bromophenyl)methyl]benzamide
CID 115161179
4-hydrazinyl-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 63212635

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-4-hydrazinyl-3-methylbenzamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-4-hydrazinyl-3-methylbenzamide (CID 63211705) is N-[(2-bromophenyl)methyl]-4-hydrazinyl-3-methylbenzamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-4-hydrazinyl-3-methylbenzamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-4-hydrazinyl-3-methylbenzamide is Cc1cc(C(=O)NCc2ccccc2Br)ccc1NN.
What is the InChIKey of N-[(2-bromophenyl)methyl]-4-hydrazinyl-3-methylbenzamide?
The InChIKey is AOIKPJDEAIHWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-10-8-11(6-7-14(10)19-17)15(20)18-9-12-4-2-3-5-13(12)16/h2-8,19H,9,17H2,1H3,(H,18,20).
What are the key properties of N-[(2-bromophenyl)methyl]-4-hydrazinyl-3-methylbenzamide?
N-[(2-bromophenyl)methyl]-4-hydrazinyl-3-methylbenzamide has a molecular weight of 334.22 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-4-hydrazinyl-3-methylbenzamide is sourced from PubChem (CID 63211705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).