N'-[2-[(3,4-dichlorophenyl)methyl-methylamino]acetyl]benzohydrazide

C17H17Cl2N3O2 — CID 9251458

IUPACN'-[2-[(3,4-dichlorophenyl)methyl-methylamino]acetyl]benzohydrazide
SMILESCN(CC(=O)NNC(=O)c1ccccc1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2N3O2/c1-22(10-12-7-8-14(18)15(19)9-12)11-16(23)20-21-17(24)13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyCSVNDBSNUOOOND-UHFFFAOYSA-N
MW366.25 g/mol
LogP2.89
Rot. Bonds5

About N'-[2-[(3,4-dichlorophenyl)methyl-methylamino]acetyl]benzohydrazide

N'-[2-[(3,4-dichlorophenyl)methyl-methylamino]acetyl]benzohydrazide (PubChem CID 9251458) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is N'-[2-[(3,4-dichlorophenyl)methyl-methylamino]acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-[(3,4-dichlorophenyl)methyl-methylamino]acetyl]benzohydrazide
PubChem CID9251458
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC NameN'-[2-[(3,4-dichlorophenyl)methyl-methylamino]acetyl]benzohydrazide
SMILESCN(CC(=O)NNC(=O)c1ccccc1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2N3O2/c1-22(10-12-7-8-14(18)15(19)9-12)11-16(23)20-21-17(24)13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyCSVNDBSNUOOOND-UHFFFAOYSA-N
XLogP2.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]benzohydrazide
CID 8907587
2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]acetic acid
CID 43442467
N'-[2-[(4-bromophenyl)methyl-methylamino]acetyl]-4-chlorobenzohydrazide
CID 2698674
4-chloro-N'-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]benzohydrazide
CID 2698184
methyl 2-[(3,4-dichlorophenyl)methyl-methylamino]acetate
CID 60670410
2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]-N-tert-butylacetamide
CID 8767118
N'-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]benzohydrazide
CID 8805511
N'-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]acetyl]benzohydrazide
CID 9435447
methyl 3-[[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]methyl]benzoate
CID 9198110
N-[3-[(3,4-dichlorophenyl)methyl-ethylamino]-3-oxopropyl]benzamide
CID 55916150
N-[4-(cyanomethyl)phenyl]-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide
CID 9041893
N'-[2-[methyl(propan-2-yl)amino]acetyl]benzohydrazide
CID 47123165

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(3,4-dichlorophenyl)methyl-methylamino]acetyl]benzohydrazide?
The IUPAC name of N'-[2-[(3,4-dichlorophenyl)methyl-methylamino]acetyl]benzohydrazide (CID 9251458) is N'-[2-[(3,4-dichlorophenyl)methyl-methylamino]acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-[(3,4-dichlorophenyl)methyl-methylamino]acetyl]benzohydrazide?
The canonical SMILES for N'-[2-[(3,4-dichlorophenyl)methyl-methylamino]acetyl]benzohydrazide is CN(CC(=O)NNC(=O)c1ccccc1)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N'-[2-[(3,4-dichlorophenyl)methyl-methylamino]acetyl]benzohydrazide?
The InChIKey is CSVNDBSNUOOOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c1-22(10-12-7-8-14(18)15(19)9-12)11-16(23)20-21-17(24)13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-[2-[(3,4-dichlorophenyl)methyl-methylamino]acetyl]benzohydrazide?
N'-[2-[(3,4-dichlorophenyl)methyl-methylamino]acetyl]benzohydrazide has a molecular weight of 366.25 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(3,4-dichlorophenyl)methyl-methylamino]acetyl]benzohydrazide is sourced from PubChem (CID 9251458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).