(2S)-N'-(2,5-dichlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide

C16H12Cl2N2O3 — CID 9087960

IUPAC(2S)-N'-(2,5-dichlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
SMILESO=C(NNC(=O)[C@@H]1Cc2ccccc2O1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H12Cl2N2O3/c17-10-5-6-12(18)11(8-10)15(21)19-20-16(22)14-7-9-3-1-2-4-13(9)23-14/h1-6,8,14H,7H2,(H,19,21)(H,20,22)/t14-/m0/s1
InChIKeyMODCECKLIMEZGI-AWEZNQCLSA-N
MW351.19 g/mol
LogP2.76
Rot. Bonds2

About (2S)-N'-(2,5-dichlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide

(2S)-N'-(2,5-dichlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide (PubChem CID 9087960) has the molecular formula C16H12Cl2N2O3 and a molecular weight of 351.19 g/mol. Its IUPAC name is (2S)-N'-(2,5-dichlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name(2S)-N'-(2,5-dichlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
PubChem CID9087960
Molecular FormulaC16H12Cl2N2O3
Molecular Weight351.19 g/mol
Exact Mass350.02
IUPAC Name(2S)-N'-(2,5-dichlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
SMILESO=C(NNC(=O)[C@@H]1Cc2ccccc2O1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H12Cl2N2O3/c17-10-5-6-12(18)11(8-10)15(21)19-20-16(22)14-7-9-3-1-2-4-13(9)23-14/h1-6,8,14H,7H2,(H,19,21)(H,20,22)/t14-/m0/s1
InChIKeyMODCECKLIMEZGI-AWEZNQCLSA-N
XLogP2.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 52.76
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

(2S)-N'-(3-chlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 9086711
(2R)-N'-(2-fluorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 9084789
N'-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 51229901
N'-(2-anilinobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 86874325
(2S)-N-(3,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9071678
(2S)-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9077488
N-(5-chloro-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43044046
N-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089270
(2S)-N-[(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9079755
(2R)-N'-(3-nitrobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 8867215
N-[1-(3-chlorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42892740
(2R)-N-(5-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26707711

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-(2,5-dichlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide?
The IUPAC name of (2S)-N'-(2,5-dichlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide (CID 9087960) is (2S)-N'-(2,5-dichlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for (2S)-N'-(2,5-dichlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide?
The canonical SMILES for (2S)-N'-(2,5-dichlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide is O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)c1cc(Cl)ccc1Cl.
What is the InChIKey of (2S)-N'-(2,5-dichlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide?
The InChIKey is MODCECKLIMEZGI-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H12Cl2N2O3/c17-10-5-6-12(18)11(8-10)15(21)19-20-16(22)14-7-9-3-1-2-4-13(9)23-14/h1-6,8,14H,7H2,(H,19,21)(H,20,22)/t14-/m0/s1.
What are the key properties of (2S)-N'-(2,5-dichlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide?
(2S)-N'-(2,5-dichlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide has a molecular weight of 351.19 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-(2,5-dichlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 9087960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).