N'-(3-iodobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide

C17H13IN2O3 — CID 27685439

IUPACN'-(3-iodobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2cccc(I)c2)oc2ccccc12
InChIInChI=1S/C17H13IN2O3/c1-10-13-7-2-3-8-14(13)23-15(10)17(22)20-19-16(21)11-5-4-6-12(18)9-11/h2-9H,1H3,(H,19,21)(H,20,22)
InChIKeyRTWSNSSJUSJTGD-UHFFFAOYSA-N
MW420.21 g/mol
LogP3.42
Rot. Bonds2

About N'-(3-iodobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide

N'-(3-iodobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide (PubChem CID 27685439) has the molecular formula C17H13IN2O3 and a molecular weight of 420.21 g/mol. Its IUPAC name is N'-(3-iodobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-iodobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
PubChem CID27685439
Molecular FormulaC17H13IN2O3
Molecular Weight420.21 g/mol
Exact Mass420.00
IUPAC NameN'-(3-iodobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2cccc(I)c2)oc2ccccc12
InChIInChI=1S/C17H13IN2O3/c1-10-13-7-2-3-8-14(13)23-15(10)17(22)20-19-16(21)11-5-4-6-12(18)9-11/h2-9H,1H3,(H,19,21)(H,20,22)
InChIKeyRTWSNSSJUSJTGD-UHFFFAOYSA-N
XLogP3.42
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.21
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
3-methyl-N'-[3-(methylsulfonylmethyl)benzoyl]-1-benzofuran-2-carbohydrazide
CID 22109365
N'-[3-(benzenesulfonylmethyl)benzoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 55789468
5-bromo-N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-3-carbohydrazide
CID 17418605
2-chloro-N,N-dimethyl-5-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 26873876
3-iodo-N'-(4-methylbenzoyl)benzohydrazide
CID 1127160
N'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685449
N'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 51155700
6-methoxy-N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-3-carbohydrazide
CID 27685748
N'-benzoyl-3,7-dimethyl-1-benzofuran-2-carbohydrazide
CID 60564685
N-dibenzofuran-2-yl-3-iodobenzamide
CID 16552353
N'-(4-chloro-2-fluorobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27163697

Frequently Asked Questions

What is the IUPAC name of N'-(3-iodobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-(3-iodobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide (CID 27685439) is N'-(3-iodobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-(3-iodobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-(3-iodobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)c2cccc(I)c2)oc2ccccc12.
What is the InChIKey of N'-(3-iodobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide?
The InChIKey is RTWSNSSJUSJTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13IN2O3/c1-10-13-7-2-3-8-14(13)23-15(10)17(22)20-19-16(21)11-5-4-6-12(18)9-11/h2-9H,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(3-iodobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide?
N'-(3-iodobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide has a molecular weight of 420.21 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-iodobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 27685439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).