N-[(3-bromophenyl)methyl]-2-hydrazinyl-5-methylbenzamide

C15H16BrN3O — CID 62511517

IUPACN-[(3-bromophenyl)methyl]-2-hydrazinyl-5-methylbenzamide
SMILESCc1ccc(NN)c(C(=O)NCc2cccc(Br)c2)c1
InChIInChI=1S/C15H16BrN3O/c1-10-5-6-14(19-17)13(7-10)15(20)18-9-11-3-2-4-12(16)8-11/h2-8,19H,9,17H2,1H3,(H,18,20)
InChIKeyIMTPMOOXCWYTLF-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.97
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-2-hydrazinyl-5-methylbenzamide

N-[(3-bromophenyl)methyl]-2-hydrazinyl-5-methylbenzamide (PubChem CID 62511517) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-hydrazinyl-5-methylbenzamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-hydrazinyl-5-methylbenzamide
PubChem CID62511517
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC NameN-[(3-bromophenyl)methyl]-2-hydrazinyl-5-methylbenzamide
SMILESCc1ccc(NN)c(C(=O)NCc2cccc(Br)c2)c1
InChIInChI=1S/C15H16BrN3O/c1-10-5-6-14(19-17)13(7-10)15(20)18-9-11-3-2-4-12(16)8-11/h2-8,19H,9,17H2,1H3,(H,18,20)
InChIKeyIMTPMOOXCWYTLF-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

2-bromo-N-[(3-bromophenyl)methyl]-5-methylbenzamide
CID 80980229
2-bromo-5-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80979004
2-hydrazinyl-N-[(4-methoxyphenyl)methyl]-5-methylbenzamide
CID 62510796
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556
N-[(3-bromophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 80717878
2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide
CID 107939159
1-[(3-bromophenyl)methyl]-3-(2,5-dimethylphenyl)urea
CID 108898947
2-bromo-N-[[3-(chloromethyl)phenyl]methyl]-5-methylbenzamide
CID 114302504
2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 99835975
2-hydrazinyl-5-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 62523072
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-5-methylbenzamide
CID 80973519
3-amino-N-[(3-bromophenyl)methyl]-4-methylbenzamide
CID 61400942

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-hydrazinyl-5-methylbenzamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-hydrazinyl-5-methylbenzamide (CID 62511517) is N-[(3-bromophenyl)methyl]-2-hydrazinyl-5-methylbenzamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-hydrazinyl-5-methylbenzamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-hydrazinyl-5-methylbenzamide is Cc1ccc(NN)c(C(=O)NCc2cccc(Br)c2)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-hydrazinyl-5-methylbenzamide?
The InChIKey is IMTPMOOXCWYTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-10-5-6-14(19-17)13(7-10)15(20)18-9-11-3-2-4-12(16)8-11/h2-8,19H,9,17H2,1H3,(H,18,20).
What are the key properties of N-[(3-bromophenyl)methyl]-2-hydrazinyl-5-methylbenzamide?
N-[(3-bromophenyl)methyl]-2-hydrazinyl-5-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-[(3-bromophenyl)methyl]-2-hydrazinyl-5-methylbenzamide is sourced from PubChem (CID 62511517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).