N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide

C19H22N2O3 — CID 18558149

IUPACN'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)oc2ccccc12
InChIInChI=1S/C19H22N2O3/c1-11-15-4-2-3-5-16(15)24-18(11)19(23)21-20-17(22)10-14-9-12-6-7-13(14)8-12/h2-5,12-14H,6-10H2,1H3,(H,20,22)(H,21,23)/t12-,13-,14-/m1/s1
InChIKeyNMTUVDIZFSMACG-MGPQQGTHSA-N
MW326.40 g/mol
LogP3.33
Rot. Bonds3

About N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide

N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide (PubChem CID 18558149) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
PubChem CID18558149
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)oc2ccccc12
InChIInChI=1S/C19H22N2O3/c1-11-15-4-2-3-5-16(15)24-18(11)19(23)21-20-17(22)10-14-9-12-6-7-13(14)8-12/h2-5,12-14H,6-10H2,1H3,(H,20,22)(H,21,23)/t12-,13-,14-/m1/s1
InChIKeyNMTUVDIZFSMACG-MGPQQGTHSA-N
XLogP3.33
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.33
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

2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide
CID 51237733
N'-[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 9297424
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methylphenyl)acetamide
CID 11923124
N'-[2-(4-fluorophenyl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 26927325
N-benzyl-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 7732664
N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 98404536
N'-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]pyridine-4-carbohydrazide
CID 98605976
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(4-methylphenyl)sulfanylacetyl]acetohydrazide
CID 18557265
2-(2-bicyclo[2.2.1]heptanyl)-N'-[2-(1H-indol-3-yl)acetyl]acetohydrazide
CID 51166897
3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
3-methyl-N'-(oxolane-2-carbonyl)-1-benzofuran-2-carbohydrazide
CID 24644300
3-methyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]-1-benzofuran-2-carbohydrazide
CID 51177211

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide (CID 18558149) is N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)oc2ccccc12.
What is the InChIKey of N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The InChIKey is NMTUVDIZFSMACG-MGPQQGTHSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-11-15-4-2-3-5-16(15)24-18(11)19(23)21-20-17(22)10-14-9-12-6-7-13(14)8-12/h2-5,12-14H,6-10H2,1H3,(H,20,22)(H,21,23)/t12-,13-,14-/m1/s1.
What are the key properties of N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide?
N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide has a molecular weight of 326.40 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 18558149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).