5-chloro-N'-[2-(1H-indol-3-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide

C20H16ClN3O3 — CID 31829676

IUPAC5-chloro-N'-[2-(1H-indol-3-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)oc2ccc(Cl)cc12
InChIInChI=1S/C20H16ClN3O3/c1-11-15-9-13(21)6-7-17(15)27-19(11)20(26)24-23-18(25)8-12-10-22-16-5-3-2-4-14(12)16/h2-7,9-10,22H,8H2,1H3,(H,23,25)(H,24,26)
InChIKeyHSJATVFVAVPENP-UHFFFAOYSA-N
MW381.82 g/mol
LogP3.88
Rot. Bonds3

About 5-chloro-N'-[2-(1H-indol-3-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide

5-chloro-N'-[2-(1H-indol-3-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide (PubChem CID 31829676) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is 5-chloro-N'-[2-(1H-indol-3-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name5-chloro-N'-[2-(1H-indol-3-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
PubChem CID31829676
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC Name5-chloro-N'-[2-(1H-indol-3-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)oc2ccc(Cl)cc12
InChIInChI=1S/C20H16ClN3O3/c1-11-15-9-13(21)6-7-17(15)27-19(11)20(26)24-23-18(25)8-12-10-22-16-5-3-2-4-14(12)16/h2-7,9-10,22H,8H2,1H3,(H,23,25)(H,24,26)
InChIKeyHSJATVFVAVPENP-UHFFFAOYSA-N
XLogP3.88
TPSA87.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 26873945
N'-[2-(4-fluorophenyl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 26927325
3-(2,4-dichlorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide
CID 35681432
N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide
CID 39972640
N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 24563218
N-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-yl)acetamide
CID 17402933
N'-(4-chloro-2-fluorobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27163697
N-(2-benzamidoethyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 134046532
N'-[2-(1H-indol-3-yl)acetyl]-3-methyltriazole-4-carbohydrazide
CID 100694106
1-tert-butyl-3-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]thiourea
CID 9088908
5-chloro-3-methyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 40708349
(2S)-2-(4-chloro-2,6-dimethylphenoxy)-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide
CID 34519138

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-[2-(1H-indol-3-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of 5-chloro-N'-[2-(1H-indol-3-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide (CID 31829676) is 5-chloro-N'-[2-(1H-indol-3-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 5-chloro-N'-[2-(1H-indol-3-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 5-chloro-N'-[2-(1H-indol-3-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)oc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-N'-[2-(1H-indol-3-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The InChIKey is HSJATVFVAVPENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c1-11-15-9-13(21)6-7-17(15)27-19(11)20(26)24-23-18(25)8-12-10-22-16-5-3-2-4-14(12)16/h2-7,9-10,22H,8H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 5-chloro-N'-[2-(1H-indol-3-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide?
5-chloro-N'-[2-(1H-indol-3-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide has a molecular weight of 381.82 g/mol, XLogP of 3.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-[2-(1H-indol-3-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 31829676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).