N'-benzoyl-3,7-dimethyl-1-benzofuran-2-carbohydrazide

C18H16N2O3 — CID 60564685

IUPACN'-benzoyl-3,7-dimethyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccccc2)oc2c(C)cccc12
InChIInChI=1S/C18H16N2O3/c1-11-7-6-10-14-12(2)16(23-15(11)14)18(22)20-19-17(21)13-8-4-3-5-9-13/h3-10H,1-2H3,(H,19,21)(H,20,22)
InChIKeyQXRQNYSKGCTYCQ-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.12
Rot. Bonds2

About N'-benzoyl-3,7-dimethyl-1-benzofuran-2-carbohydrazide

N'-benzoyl-3,7-dimethyl-1-benzofuran-2-carbohydrazide (PubChem CID 60564685) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N'-benzoyl-3,7-dimethyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-3,7-dimethyl-1-benzofuran-2-carbohydrazide
PubChem CID60564685
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN'-benzoyl-3,7-dimethyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccccc2)oc2c(C)cccc12
InChIInChI=1S/C18H16N2O3/c1-11-7-6-10-14-12(2)16(23-15(11)14)18(22)20-19-17(21)13-8-4-3-5-9-13/h3-10H,1-2H3,(H,19,21)(H,20,22)
InChIKeyQXRQNYSKGCTYCQ-UHFFFAOYSA-N
XLogP3.12
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(3,7-dimethyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 119244664
N'-(4-ethoxy-3-methoxybenzoyl)-3,7-dimethyl-1-benzofuran-2-carbohydrazide
CID 55996326
3,7-dimethyl-N-prop-2-ynyl-1-benzofuran-2-carboxamide
CID 47366244
3,7-dimethyl-N-[2-(N-methylanilino)ethyl]-1-benzofuran-2-carboxamide
CID 55996601
3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
3,7-dimethyl-N-[2-(methylamino)ethyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 119504301
1-[(3,7-dimethyl-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119176798
2-[2-[(3,7-dimethyl-1-benzofuran-2-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242689
N'-(3-iodobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685439
N'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 51155700
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-3,7-dimethyl-1-benzofuran-2-carboxamide
CID 56522299
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3,7-dimethyl-1-benzofuran-2-carboxamide
CID 111480979

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-3,7-dimethyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-benzoyl-3,7-dimethyl-1-benzofuran-2-carbohydrazide (CID 60564685) is N'-benzoyl-3,7-dimethyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-benzoyl-3,7-dimethyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-benzoyl-3,7-dimethyl-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c(C)cccc12.
What is the InChIKey of N'-benzoyl-3,7-dimethyl-1-benzofuran-2-carbohydrazide?
The InChIKey is QXRQNYSKGCTYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-11-7-6-10-14-12(2)16(23-15(11)14)18(22)20-19-17(21)13-8-4-3-5-9-13/h3-10H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-benzoyl-3,7-dimethyl-1-benzofuran-2-carbohydrazide?
N'-benzoyl-3,7-dimethyl-1-benzofuran-2-carbohydrazide has a molecular weight of 308.34 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-3,7-dimethyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 60564685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).