3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)benzohydrazide

C19H17IN2O3 — CID 91683229

IUPAC3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)benzohydrazide
SMILESCOc1cc(C(=O)NN)cc(I)c1OCc1cccc2ccccc12
InChIInChI=1S/C19H17IN2O3/c1-24-17-10-14(19(23)22-21)9-16(20)18(17)25-11-13-7-4-6-12-5-2-3-8-15(12)13/h2-10H,11,21H2,1H3,(H,22,23)
InChIKeyWTLFQHOTGUDPLG-UHFFFAOYSA-N
MW448.26 g/mol
LogP3.64
Rot. Bonds5

About 3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)benzohydrazide

3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)benzohydrazide (PubChem CID 91683229) has the molecular formula C19H17IN2O3 and a molecular weight of 448.26 g/mol. Its IUPAC name is 3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)benzohydrazide.

Molecular Properties

Compound Name3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)benzohydrazide
PubChem CID91683229
Molecular FormulaC19H17IN2O3
Molecular Weight448.26 g/mol
Exact Mass448.03
IUPAC Name3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)benzohydrazide
SMILESCOc1cc(C(=O)NN)cc(I)c1OCc1cccc2ccccc12
InChIInChI=1S/C19H17IN2O3/c1-24-17-10-14(19(23)22-21)9-16(20)18(17)25-11-13-7-4-6-12-5-2-3-8-15(12)13/h2-10H,11,21H2,1H3,(H,22,23)
InChIKeyWTLFQHOTGUDPLG-UHFFFAOYSA-N
XLogP3.64
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.26
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

naphthalen-1-ylmethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 7899325
N-[(E)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-methylbenzamide
CID 19060876
4-(naphthalen-1-ylmethoxy)benzohydrazide
CID 91683225
3-iodo-5-methoxy-N-methyl-4-phenylmethoxybenzamide
CID 2222138
N-[(Z)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiophene-2-carboxamide
CID 124533288
N-[(Z)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2,4-dimethoxybenzamide
CID 126388643
2-chloro-N-[(Z)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-methylbenzamide
CID 126059438
2-(4-bromophenyl)-N-[(E)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 99665428
5-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-1,3,4-oxadiazol-2-amine
CID 91683246
3-ethoxy-N-[(E)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-prop-2-enoxybenzamide
CID 126317583
methyl 3-iodo-5-methoxy-4-phenylmethoxybenzoate
CID 91689901
4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid
CID 20986648

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)benzohydrazide?
The IUPAC name of 3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)benzohydrazide (CID 91683229) is 3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)benzohydrazide.
What is the SMILES notation for 3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)benzohydrazide?
The canonical SMILES for 3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)benzohydrazide is COc1cc(C(=O)NN)cc(I)c1OCc1cccc2ccccc12.
What is the InChIKey of 3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)benzohydrazide?
The InChIKey is WTLFQHOTGUDPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17IN2O3/c1-24-17-10-14(19(23)22-21)9-16(20)18(17)25-11-13-7-4-6-12-5-2-3-8-15(12)13/h2-10H,11,21H2,1H3,(H,22,23).
What are the key properties of 3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)benzohydrazide?
3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)benzohydrazide has a molecular weight of 448.26 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)benzohydrazide is sourced from PubChem (CID 91683229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).