N'-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]acetyl]benzohydrazide

C21H20ClN3O3 — CID 9435447

IUPACN'-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]acetyl]benzohydrazide
SMILESCN(CC(=O)NNC(=O)c1ccccc1)Cc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C21H20ClN3O3/c1-25(14-20(26)23-24-21(27)16-5-3-2-4-6-16)13-18-11-12-19(28-18)15-7-9-17(22)10-8-15/h2-12H,13-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyMEJZOVYLHSBIFL-UHFFFAOYSA-N
MW397.86 g/mol
LogP3.49
Rot. Bonds6

About N'-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]acetyl]benzohydrazide

N'-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]acetyl]benzohydrazide (PubChem CID 9435447) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is N'-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]acetyl]benzohydrazide
PubChem CID9435447
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC NameN'-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]acetyl]benzohydrazide
SMILESCN(CC(=O)NNC(=O)c1ccccc1)Cc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C21H20ClN3O3/c1-25(14-20(26)23-24-21(27)16-5-3-2-4-6-16)13-18-11-12-19(28-18)15-7-9-17(22)10-8-15/h2-12H,13-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyMEJZOVYLHSBIFL-UHFFFAOYSA-N
XLogP3.49
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]acetyl]benzohydrazide 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

2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]acetic acid
CID 43442467
N'-[2-[(3,4-dichlorophenyl)methyl-methylamino]acetyl]benzohydrazide
CID 9251458
2-[[5-(4-tert-butylphenyl)furan-2-yl]methyl-methylamino]acetic acid
CID 122035372
3-chloro-N'-[3-(5-phenylfuran-2-yl)propanoyl]benzohydrazide
CID 9475645
N'-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]benzohydrazide
CID 8907587
N'-[2-[(4-bromophenyl)methyl-methylamino]acetyl]-4-chlorobenzohydrazide
CID 2698674
1-[5-(4-chlorophenyl)furan-2-yl]-N,N-dimethylmethanamine;hydrochloride
CID 131862742
2-[[5-(4-bromophenyl)furan-2-yl]methyl-methylamino]acetic acid
CID 43386061
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
CID 46614912
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 38212370
4-chloro-N'-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]benzohydrazide
CID 2698184
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methylprop-2-yn-1-amine
CID 21388068

Frequently Asked Questions

What is the IUPAC name of N'-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]acetyl]benzohydrazide?
The IUPAC name of N'-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]acetyl]benzohydrazide (CID 9435447) is N'-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]acetyl]benzohydrazide?
The canonical SMILES for N'-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]acetyl]benzohydrazide is CN(CC(=O)NNC(=O)c1ccccc1)Cc1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of N'-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]acetyl]benzohydrazide?
The InChIKey is MEJZOVYLHSBIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-25(14-20(26)23-24-21(27)16-5-3-2-4-6-16)13-18-11-12-19(28-18)15-7-9-17(22)10-8-15/h2-12H,13-14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N'-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]acetyl]benzohydrazide?
N'-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]acetyl]benzohydrazide has a molecular weight of 397.86 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]acetyl]benzohydrazide is sourced from PubChem (CID 9435447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).