4-[(2-chlorophenyl)methoxy]-3-iodobenzohydrazide

C14H12ClIN2O2 — CID 91682062

IUPAC4-[(2-chlorophenyl)methoxy]-3-iodobenzohydrazide
SMILESNNC(=O)c1ccc(OCc2ccccc2Cl)c(I)c1
InChIInChI=1S/C14H12ClIN2O2/c15-11-4-2-1-3-10(11)8-20-13-6-5-9(7-12(13)16)14(19)18-17/h1-7H,8,17H2,(H,18,19)
InChIKeyOMQXIENOQPKWKF-UHFFFAOYSA-N
MW402.62 g/mol
LogP3.13
Rot. Bonds4

About 4-[(2-chlorophenyl)methoxy]-3-iodobenzohydrazide

4-[(2-chlorophenyl)methoxy]-3-iodobenzohydrazide (PubChem CID 91682062) has the molecular formula C14H12ClIN2O2 and a molecular weight of 402.62 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]-3-iodobenzohydrazide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]-3-iodobenzohydrazide
PubChem CID91682062
Molecular FormulaC14H12ClIN2O2
Molecular Weight402.62 g/mol
Exact Mass401.96
IUPAC Name4-[(2-chlorophenyl)methoxy]-3-iodobenzohydrazide
SMILESNNC(=O)c1ccc(OCc2ccccc2Cl)c(I)c1
InChIInChI=1S/C14H12ClIN2O2/c15-11-4-2-1-3-10(11)8-20-13-6-5-9(7-12(13)16)14(19)18-17/h1-7H,8,17H2,(H,18,19)
InChIKeyOMQXIENOQPKWKF-UHFFFAOYSA-N
XLogP3.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.62
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-[(2,4-dichlorophenyl)methoxy]-3-iodobenzohydrazide
CID 91682061
[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]methanol
CID 45371650
3-bromo-5-chloro-4-[(2-chlorophenyl)methoxy]benzohydrazide
CID 91685973
3-iodo-4-[(2-methylphenyl)methoxy]benzamide
CID 91682054
2-[(2-chlorophenoxy)methyl]benzohydrazide
CID 63576691
1-[4-[(2-chlorophenyl)methoxy]-3-hydroxyphenyl]ethanone
CID 10850109
4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxybenzohydrazide
CID 91681857
(Z)-N-carbamoyl-3-[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]-2-cyanoprop-2-enamide
CID 126233719
4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoic acid
CID 4769645
4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoyl chloride
CID 46779765
3-bromo-4-phenylmethoxybenzohydrazide
CID 54793170
4-[(2-chlorophenyl)methoxy]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methoxybenzamide
CID 55395887

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methoxy]-3-iodobenzohydrazide?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]-3-iodobenzohydrazide (CID 91682062) is 4-[(2-chlorophenyl)methoxy]-3-iodobenzohydrazide.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]-3-iodobenzohydrazide?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]-3-iodobenzohydrazide is NNC(=O)c1ccc(OCc2ccccc2Cl)c(I)c1.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]-3-iodobenzohydrazide?
The InChIKey is OMQXIENOQPKWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClIN2O2/c15-11-4-2-1-3-10(11)8-20-13-6-5-9(7-12(13)16)14(19)18-17/h1-7H,8,17H2,(H,18,19).
What are the key properties of 4-[(2-chlorophenyl)methoxy]-3-iodobenzohydrazide?
4-[(2-chlorophenyl)methoxy]-3-iodobenzohydrazide has a molecular weight of 402.62 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methoxy]-3-iodobenzohydrazide is sourced from PubChem (CID 91682062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).