(2-chloro-5-methylphenyl) 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate

C18H14ClNO4 — CID 134024410

IUPAC(2-chloro-5-methylphenyl) 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate
SMILESCc1ccc(Cl)c(OC(=O)c2ccc(Cn3ccccc3=O)o2)c1
InChIInChI=1S/C18H14ClNO4/c1-12-5-7-14(19)16(10-12)24-18(22)15-8-6-13(23-15)11-20-9-3-2-4-17(20)21/h2-10H,11H2,1H3
InChIKeyRTEVOIWOEXOJRX-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.67
Rot. Bonds4

About (2-chloro-5-methylphenyl) 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate

(2-chloro-5-methylphenyl) 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate (PubChem CID 134024410) has the molecular formula C18H14ClNO4 and a molecular weight of 343.77 g/mol. Its IUPAC name is (2-chloro-5-methylphenyl) 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate.

Molecular Properties

Compound Name(2-chloro-5-methylphenyl) 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate
PubChem CID134024410
Molecular FormulaC18H14ClNO4
Molecular Weight343.77 g/mol
Exact Mass343.06
IUPAC Name(2-chloro-5-methylphenyl) 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate
SMILESCc1ccc(Cl)c(OC(=O)c2ccc(Cn3ccccc3=O)o2)c1
InChIInChI=1S/C18H14ClNO4/c1-12-5-7-14(19)16(10-12)24-18(22)15-8-6-13(23-15)11-20-9-3-2-4-17(20)21/h2-10H,11H2,1H3
InChIKeyRTEVOIWOEXOJRX-UHFFFAOYSA-N
XLogP3.67
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(6-chloro-3-pyridinyl)methyl 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate
CID 34278794
N-[(2R)-3-methylbutan-2-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 30597946
N-[(2S)-3-methylbutan-2-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 30597949
N'-[2-(2,4-dimethylanilino)acetyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
CID 134038858
N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024794
(1-anilino-1-oxopropan-2-yl) 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate
CID 47019047
N-(3-chloro-4-fluorophenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 31328053
N'-(4-ethylbenzoyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
CID 134024433
N-(5-chloro-2-phenoxyphenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 31336184
1-[(2-methoxy-4-methylphenyl)methyl]pyridin-2-one
CID 118907167
N-(2-methylpropyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 47141529
N-(furan-2-ylmethyl)-N-(4-methylphenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024570

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-methylphenyl) 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate?
The IUPAC name of (2-chloro-5-methylphenyl) 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate (CID 134024410) is (2-chloro-5-methylphenyl) 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate.
What is the SMILES notation for (2-chloro-5-methylphenyl) 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate?
The canonical SMILES for (2-chloro-5-methylphenyl) 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate is Cc1ccc(Cl)c(OC(=O)c2ccc(Cn3ccccc3=O)o2)c1.
What is the InChIKey of (2-chloro-5-methylphenyl) 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate?
The InChIKey is RTEVOIWOEXOJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO4/c1-12-5-7-14(19)16(10-12)24-18(22)15-8-6-13(23-15)11-20-9-3-2-4-17(20)21/h2-10H,11H2,1H3.
What are the key properties of (2-chloro-5-methylphenyl) 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate?
(2-chloro-5-methylphenyl) 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate has a molecular weight of 343.77 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-methylphenyl) 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate is sourced from PubChem (CID 134024410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).