4-chloro-N'-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]benzohydrazide

C18H20ClN3O3 — CID 2698184

IUPAC4-chloro-N'-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]benzohydrazide
SMILESCOc1cccc(CN(C)CC(=O)NNC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClN3O3/c1-22(11-13-4-3-5-16(10-13)25-2)12-17(23)20-21-18(24)14-6-8-15(19)9-7-14/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyZDLCCSVILDVHDL-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.24
Rot. Bonds6

About 4-chloro-N'-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]benzohydrazide

4-chloro-N'-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]benzohydrazide (PubChem CID 2698184) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 4-chloro-N'-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]benzohydrazide
PubChem CID2698184
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name4-chloro-N'-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]benzohydrazide
SMILESCOc1cccc(CN(C)CC(=O)NNC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H20ClN3O3/c1-22(11-13-4-3-5-16(10-13)25-2)12-17(23)20-21-18(24)14-6-8-15(19)9-7-14/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyZDLCCSVILDVHDL-UHFFFAOYSA-N
XLogP2.24
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dichlorophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2698222
N'-[2-[(4-bromophenyl)methyl-methylamino]acetyl]-4-chlorobenzohydrazide
CID 2698674
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
4-chloro-N'-[2-(3-methoxyphenyl)sulfanylacetyl]benzohydrazide
CID 35040935
N'-[2-[(3,4-dichlorophenyl)methyl-methylamino]acetyl]benzohydrazide
CID 9251458
4-bromo-N'-[2-(3-methoxyphenyl)acetyl]benzohydrazide
CID 26912197
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
N-(3-chloro-4-methylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8794634
2-[(4-chlorophenyl)methyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 87013294
N-(2-chloro-3-pyridinyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8556360
3-chloro-N'-[2-[(3-methoxyphenyl)methoxy]acetyl]benzohydrazide
CID 46471065
2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 8794631

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]benzohydrazide (CID 2698184) is 4-chloro-N'-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]benzohydrazide is COc1cccc(CN(C)CC(=O)NNC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N'-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]benzohydrazide?
The InChIKey is ZDLCCSVILDVHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-22(11-13-4-3-5-16(10-13)25-2)12-17(23)20-21-18(24)14-6-8-15(19)9-7-14/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 4-chloro-N'-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]benzohydrazide?
4-chloro-N'-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]benzohydrazide has a molecular weight of 361.83 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]benzohydrazide is sourced from PubChem (CID 2698184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).