N-[(4-chlorophenyl)methyl]-4-hydrazinyl-3-methylbenzamide

C15H16ClN3O — CID 63211678

IUPACN-[(4-chlorophenyl)methyl]-4-hydrazinyl-3-methylbenzamide
SMILESCc1cc(C(=O)NCc2ccc(Cl)cc2)ccc1NN
InChIInChI=1S/C15H16ClN3O/c1-10-8-12(4-7-14(10)19-17)15(20)18-9-11-2-5-13(16)6-3-11/h2-8,19H,9,17H2,1H3,(H,18,20)
InChIKeyZWBRFIBTWAZEOV-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.86
Rot. Bonds4

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

N-[(4-chlorophenyl)methyl]-4-hydrazinyl-3-methylbenzamide (PubChem CID 63211678) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-hydrazinyl-3-methylbenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-hydrazinyl-3-methylbenzamide
PubChem CID63211678
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC NameN-[(4-chlorophenyl)methyl]-4-hydrazinyl-3-methylbenzamide
SMILESCc1cc(C(=O)NCc2ccc(Cl)cc2)ccc1NN
InChIInChI=1S/C15H16ClN3O/c1-10-8-12(4-7-14(10)19-17)15(20)18-9-11-2-5-13(16)6-3-11/h2-8,19H,9,17H2,1H3,(H,18,20)
InChIKeyZWBRFIBTWAZEOV-UHFFFAOYSA-N
XLogP2.86
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.86
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'}

Analyze N-[(4-chlorophenyl)methyl]-4-hydrazinyl-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydrazinyl-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 63212635
N-[[4-(2-aminoethyl)phenyl]methyl]-4-chloro-3-methylbenzamide
CID 115736978
4-hydrazinyl-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbenzamide
CID 63211606
N-[(4-chlorophenyl)methyl]-3-methylbenzamide
CID 966012
4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide
CID 55102826
N-[(4-fluorophenyl)methyl]-3-methyl-4-(methylamino)benzamide
CID 63210456
N-(4-chloro-2-iodophenyl)-4-hydrazinyl-3-methylbenzamide
CID 107632237
N-[(2-bromophenyl)methyl]-4-hydrazinyl-3-methylbenzamide
CID 63211705
N-(2-bromo-4-chlorophenyl)-4-hydrazinyl-3-methylbenzamide
CID 81275140
N-[[4-(bromomethyl)phenyl]methyl]-4-fluoro-3-methylbenzamide
CID 107233716
3-N-(4-chloro-2-methylphenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054705
4-hydrazinyl-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 63211458

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-hydrazinyl-3-methylbenzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-hydrazinyl-3-methylbenzamide (CID 63211678) is N-[(4-chlorophenyl)methyl]-4-hydrazinyl-3-methylbenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-hydrazinyl-3-methylbenzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-hydrazinyl-3-methylbenzamide is Cc1cc(C(=O)NCc2ccc(Cl)cc2)ccc1NN.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-hydrazinyl-3-methylbenzamide?
The InChIKey is ZWBRFIBTWAZEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-10-8-12(4-7-14(10)19-17)15(20)18-9-11-2-5-13(16)6-3-11/h2-8,19H,9,17H2,1H3,(H,18,20).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-hydrazinyl-3-methylbenzamide?
N-[(4-chlorophenyl)methyl]-4-hydrazinyl-3-methylbenzamide has a molecular weight of 289.77 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-hydrazinyl-3-methylbenzamide is sourced from PubChem (CID 63211678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).