N'-(3-chloro-5-methoxy-4-propoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide

C23H23ClN2O6 — CID 26746199

IUPACN'-(3-chloro-5-methoxy-4-propoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESCCCOc1c(Cl)cc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1OC
InChIInChI=1S/C23H23ClN2O6/c1-3-11-30-21-18(24)12-15(13-20(21)29-2)22(27)25-26-23(28)19-10-9-17(32-19)14-31-16-7-5-4-6-8-16/h4-10,12-13H,3,11,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyQOBGYTDNCRPKIB-UHFFFAOYSA-N
MW458.90 g/mol
LogP4.38
Rot. Bonds9

About N'-(3-chloro-5-methoxy-4-propoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide

N'-(3-chloro-5-methoxy-4-propoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide (PubChem CID 26746199) has the molecular formula C23H23ClN2O6 and a molecular weight of 458.90 g/mol. Its IUPAC name is N'-(3-chloro-5-methoxy-4-propoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-chloro-5-methoxy-4-propoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
PubChem CID26746199
Molecular FormulaC23H23ClN2O6
Molecular Weight458.90 g/mol
Exact Mass458.12
IUPAC NameN'-(3-chloro-5-methoxy-4-propoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESCCCOc1c(Cl)cc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1OC
InChIInChI=1S/C23H23ClN2O6/c1-3-11-30-21-18(24)12-15(13-20(21)29-2)22(27)25-26-23(28)19-10-9-17(32-19)14-31-16-7-5-4-6-8-16/h4-10,12-13H,3,11,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyQOBGYTDNCRPKIB-UHFFFAOYSA-N
XLogP4.38
TPSA99.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.90
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chloro-5-methoxy-4-propoxybenzoyl)furan-2-carbohydrazide
CID 26855910
5-(phenoxymethyl)-N'-(3-propoxybenzoyl)furan-2-carbohydrazide
CID 55788976
3-chloro-N'-(2-chlorobenzoyl)-5-methoxy-4-propoxybenzohydrazide
CID 35930780
N'-(4-butoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219874
N-[(3-methoxy-4-propoxyphenyl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 46447003
N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7341802
N'-[2-(3,4-dimethoxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219844
N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 7979169
N'-(4-butoxy-3-methoxybenzoyl)-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 46656743
N'-(3-chloro-5-ethoxy-4-propoxybenzoyl)furan-2-carbohydrazide
CID 9476532
3-chloro-5-methoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 26775880
3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide
CID 4288200

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-5-methoxy-4-propoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide?
The IUPAC name of N'-(3-chloro-5-methoxy-4-propoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide (CID 26746199) is N'-(3-chloro-5-methoxy-4-propoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(3-chloro-5-methoxy-4-propoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide?
The canonical SMILES for N'-(3-chloro-5-methoxy-4-propoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide is CCCOc1c(Cl)cc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1OC.
What is the InChIKey of N'-(3-chloro-5-methoxy-4-propoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide?
The InChIKey is QOBGYTDNCRPKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O6/c1-3-11-30-21-18(24)12-15(13-20(21)29-2)22(27)25-26-23(28)19-10-9-17(32-19)14-31-16-7-5-4-6-8-16/h4-10,12-13H,3,11,14H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N'-(3-chloro-5-methoxy-4-propoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide?
N'-(3-chloro-5-methoxy-4-propoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide has a molecular weight of 458.90 g/mol, XLogP of 4.38, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-5-methoxy-4-propoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide is sourced from PubChem (CID 26746199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).