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

C16H13ClN2O3 — CID 9086711

IUPAC(2S)-N'-(3-chlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
SMILESO=C(NNC(=O)[C@@H]1Cc2ccccc2O1)c1cccc(Cl)c1
InChIInChI=1S/C16H13ClN2O3/c17-12-6-3-5-11(8-12)15(20)18-19-16(21)14-9-10-4-1-2-7-13(10)22-14/h1-8,14H,9H2,(H,18,20)(H,19,21)/t14-/m0/s1
InChIKeyDTNUYOWDNADFCF-AWEZNQCLSA-N
MW316.74 g/mol
LogP2.10
Rot. Bonds2

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

(2S)-N'-(3-chlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide (PubChem CID 9086711) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is (2S)-N'-(3-chlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name(2S)-N'-(3-chlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
PubChem CID9086711
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC Name(2S)-N'-(3-chlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
SMILESO=C(NNC(=O)[C@@H]1Cc2ccccc2O1)c1cccc(Cl)c1
InChIInChI=1S/C16H13ClN2O3/c17-12-6-3-5-11(8-12)15(20)18-19-16(21)14-9-10-4-1-2-7-13(10)22-14/h1-8,14H,9H2,(H,18,20)(H,19,21)/t14-/m0/s1
InChIKeyDTNUYOWDNADFCF-AWEZNQCLSA-N
XLogP2.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 52.10
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'-(2,5-dichlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 9087960
(2R)-N'-(3-nitrobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 8867215
(3-chlorophenyl)-[(2R)-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 132502482
3-[[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 9085488
(2S)-N-[(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9079755
N-[1-(3-chlorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42892740
(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
5-chloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 24513762
(2S)-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 9086388
N'-(2-anilinobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 86874325
N-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089270

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-(3-chlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide?
The IUPAC name of (2S)-N'-(3-chlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide (CID 9086711) is (2S)-N'-(3-chlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for (2S)-N'-(3-chlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide?
The canonical SMILES for (2S)-N'-(3-chlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide is O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)c1cccc(Cl)c1.
What is the InChIKey of (2S)-N'-(3-chlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide?
The InChIKey is DTNUYOWDNADFCF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c17-12-6-3-5-11(8-12)15(20)18-19-16(21)14-9-10-4-1-2-7-13(10)22-14/h1-8,14H,9H2,(H,18,20)(H,19,21)/t14-/m0/s1.
What are the key properties of (2S)-N'-(3-chlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide?
(2S)-N'-(3-chlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide has a molecular weight of 316.74 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-(3-chlorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 9086711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).