6-chloro-N'-(3-methoxy-4-propoxybenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide

C21H23ClN2O5 — CID 46656679

IUPAC6-chloro-N'-(3-methoxy-4-propoxybenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)C2COc3ccc(Cl)cc3C2)cc1OC
InChIInChI=1S/C21H23ClN2O5/c1-3-8-28-18-6-4-13(11-19(18)27-2)20(25)23-24-21(26)15-9-14-10-16(22)5-7-17(14)29-12-15/h4-7,10-11,15H,3,8-9,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyGPPPRWPUMQLJEN-UHFFFAOYSA-N
MW418.88 g/mol
LogP3.15
Rot. Bonds6

About 6-chloro-N'-(3-methoxy-4-propoxybenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide

6-chloro-N'-(3-methoxy-4-propoxybenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide (PubChem CID 46656679) has the molecular formula C21H23ClN2O5 and a molecular weight of 418.88 g/mol. Its IUPAC name is 6-chloro-N'-(3-methoxy-4-propoxybenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide.

Molecular Properties

Compound Name6-chloro-N'-(3-methoxy-4-propoxybenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
PubChem CID46656679
Molecular FormulaC21H23ClN2O5
Molecular Weight418.88 g/mol
Exact Mass418.13
IUPAC Name6-chloro-N'-(3-methoxy-4-propoxybenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)C2COc3ccc(Cl)cc3C2)cc1OC
InChIInChI=1S/C21H23ClN2O5/c1-3-8-28-18-6-4-13(11-19(18)27-2)20(25)23-24-21(26)15-9-14-10-16(22)5-7-17(14)29-12-15/h4-7,10-11,15H,3,8-9,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyGPPPRWPUMQLJEN-UHFFFAOYSA-N
XLogP3.15
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R)-6-chloro-N'-(4-fluorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 8870613
N'-(2,5-dichlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621876
N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621830
N'-acetyl-6-chloro-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 47118648
6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55414222
(3S)-6-chloro-N'-(2-chlorobenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 8870253
6-chloro-N-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46684270
(3R)-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9083772
methyl (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 51514244
(3S)-6-chloro-N'-[2-(2-fluorophenoxy)acetyl]-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 9085828
(3S)-6-chloro-N'-(furan-2-carbonyl)-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 9086828
6-chloro-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55955116

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N'-(3-methoxy-4-propoxybenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide?
The IUPAC name of 6-chloro-N'-(3-methoxy-4-propoxybenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide (CID 46656679) is 6-chloro-N'-(3-methoxy-4-propoxybenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide.
What is the SMILES notation for 6-chloro-N'-(3-methoxy-4-propoxybenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide?
The canonical SMILES for 6-chloro-N'-(3-methoxy-4-propoxybenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide is CCCOc1ccc(C(=O)NNC(=O)C2COc3ccc(Cl)cc3C2)cc1OC.
What is the InChIKey of 6-chloro-N'-(3-methoxy-4-propoxybenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide?
The InChIKey is GPPPRWPUMQLJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O5/c1-3-8-28-18-6-4-13(11-19(18)27-2)20(25)23-24-21(26)15-9-14-10-16(22)5-7-17(14)29-12-15/h4-7,10-11,15H,3,8-9,12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 6-chloro-N'-(3-methoxy-4-propoxybenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide?
6-chloro-N'-(3-methoxy-4-propoxybenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide has a molecular weight of 418.88 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N'-(3-methoxy-4-propoxybenzoyl)-3,4-dihydro-2H-chromene-3-carbohydrazide is sourced from PubChem (CID 46656679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).