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

C17H19ClN2O5 — CID 9476532

IUPACN'-(3-chloro-5-ethoxy-4-propoxybenzoyl)furan-2-carbohydrazide
SMILESCCCOc1c(Cl)cc(C(=O)NNC(=O)c2ccco2)cc1OCC
InChIInChI=1S/C17H19ClN2O5/c1-3-7-25-15-12(18)9-11(10-14(15)23-4-2)16(21)19-20-17(22)13-6-5-8-24-13/h5-6,8-10H,3-4,7H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyKRHDZEXNLBJLNA-UHFFFAOYSA-N
MW366.80 g/mol
LogP3.20
Rot. Bonds7

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

N'-(3-chloro-5-ethoxy-4-propoxybenzoyl)furan-2-carbohydrazide (PubChem CID 9476532) has the molecular formula C17H19ClN2O5 and a molecular weight of 366.80 g/mol. Its IUPAC name is N'-(3-chloro-5-ethoxy-4-propoxybenzoyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-chloro-5-ethoxy-4-propoxybenzoyl)furan-2-carbohydrazide
PubChem CID9476532
Molecular FormulaC17H19ClN2O5
Molecular Weight366.80 g/mol
Exact Mass366.10
IUPAC NameN'-(3-chloro-5-ethoxy-4-propoxybenzoyl)furan-2-carbohydrazide
SMILESCCCOc1c(Cl)cc(C(=O)NNC(=O)c2ccco2)cc1OCC
InChIInChI=1S/C17H19ClN2O5/c1-3-7-25-15-12(18)9-11(10-14(15)23-4-2)16(21)19-20-17(22)13-6-5-8-24-13/h5-6,8-10H,3-4,7H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyKRHDZEXNLBJLNA-UHFFFAOYSA-N
XLogP3.20
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 53.20
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

N'-(3-chloro-5-methoxy-4-propoxybenzoyl)furan-2-carbohydrazide
CID 26855910
N'-(3-ethoxy-4-propoxybenzoyl)furan-2-carbohydrazide
CID 9476415
3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-ethoxy-4-propoxybenzamide
CID 55332491
3-chloro-N'-(2,4-dimethylbenzoyl)-5-ethoxy-4-propoxybenzohydrazide
CID 9276291
4-butoxy-3-chloro-5-ethoxy-N'-phenylbenzohydrazide
CID 78774711
3-chloro-N'-(2-chlorobenzoyl)-5-methoxy-4-propoxybenzohydrazide
CID 35930780
3-chloro-N-[2,6-di(propan-2-yl)phenyl]-5-ethoxy-4-propoxybenzamide
CID 18224809
N-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1112721
3-chloro-5-ethoxy-N-[3-(propanoylamino)phenyl]-4-propoxybenzamide
CID 38024353
N'-(3-chloro-5-methoxy-4-propoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 26746199
N'-[3-ethoxy-4-(2-methylpropoxy)benzoyl]furan-2-carbohydrazide
CID 9476382
3-chloro-5-ethoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 9246200

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-5-ethoxy-4-propoxybenzoyl)furan-2-carbohydrazide?
The IUPAC name of N'-(3-chloro-5-ethoxy-4-propoxybenzoyl)furan-2-carbohydrazide (CID 9476532) is N'-(3-chloro-5-ethoxy-4-propoxybenzoyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(3-chloro-5-ethoxy-4-propoxybenzoyl)furan-2-carbohydrazide?
The canonical SMILES for N'-(3-chloro-5-ethoxy-4-propoxybenzoyl)furan-2-carbohydrazide is CCCOc1c(Cl)cc(C(=O)NNC(=O)c2ccco2)cc1OCC.
What is the InChIKey of N'-(3-chloro-5-ethoxy-4-propoxybenzoyl)furan-2-carbohydrazide?
The InChIKey is KRHDZEXNLBJLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O5/c1-3-7-25-15-12(18)9-11(10-14(15)23-4-2)16(21)19-20-17(22)13-6-5-8-24-13/h5-6,8-10H,3-4,7H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(3-chloro-5-ethoxy-4-propoxybenzoyl)furan-2-carbohydrazide?
N'-(3-chloro-5-ethoxy-4-propoxybenzoyl)furan-2-carbohydrazide has a molecular weight of 366.80 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-5-ethoxy-4-propoxybenzoyl)furan-2-carbohydrazide is sourced from PubChem (CID 9476532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).