N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-3-methyl-1-benzofuran-2-carbohydrazide

C20H17ClN2O3 — CID 27685228

IUPACN'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)C2(c3ccc(Cl)cc3)CC2)oc2ccccc12
InChIInChI=1S/C20H17ClN2O3/c1-12-15-4-2-3-5-16(15)26-17(12)18(24)22-23-19(25)20(10-11-20)13-6-8-14(21)9-7-13/h2-9H,10-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyMKHCGASSZJYLFB-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.89
Rot. Bonds3

About N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-3-methyl-1-benzofuran-2-carbohydrazide

N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-3-methyl-1-benzofuran-2-carbohydrazide (PubChem CID 27685228) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-3-methyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-3-methyl-1-benzofuran-2-carbohydrazide
PubChem CID27685228
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC NameN'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)C2(c3ccc(Cl)cc3)CC2)oc2ccccc12
InChIInChI=1S/C20H17ClN2O3/c1-12-15-4-2-3-5-16(15)26-17(12)18(24)22-23-19(25)20(10-11-20)13-6-8-14(21)9-7-13/h2-9H,10-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyMKHCGASSZJYLFB-UHFFFAOYSA-N
XLogP3.89
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.89
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

N'-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 46652829
1-(4-chlorophenyl)-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiourea
CID 8746989
3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
3-methyl-N-(2,4,6-trichlorophenyl)-1-benzofuran-2-carboxamide
CID 108793598
N'-[2-(4-fluorophenyl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 26927325
3-methyl-N-[(1-phenylcyclopropyl)methyl]-1-benzofuran-2-carboxamide
CID 16602422
3-(2-chloro-6-fluorophenyl)-5-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1,2-oxazole-4-carbohydrazide
CID 26377118
(4-chlorophenyl) 3-methyl-1-benzofuran-2-carboxylate
CID 7900850
2-chloro-N,N-dimethyl-5-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 26873876
N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide
CID 115878297
N'-(3-iodobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685439
N'-[1-(4-chlorophenyl)cyclobutanecarbonyl]furan-2-carbohydrazide
CID 17464818

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-3-methyl-1-benzofuran-2-carbohydrazide (CID 27685228) is N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-3-methyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-3-methyl-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)C2(c3ccc(Cl)cc3)CC2)oc2ccccc12.
What is the InChIKey of N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The InChIKey is MKHCGASSZJYLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c1-12-15-4-2-3-5-16(15)26-17(12)18(24)22-23-19(25)20(10-11-20)13-6-8-14(21)9-7-13/h2-9H,10-11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-3-methyl-1-benzofuran-2-carbohydrazide?
N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-3-methyl-1-benzofuran-2-carbohydrazide has a molecular weight of 368.82 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-3-methyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 27685228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).