N-[2-(4-fluorophenyl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide

C19H16FNO4 — CID 26795926

IUPACN-[2-(4-fluorophenyl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)oc12
InChIInChI=1S/C19H16FNO4/c1-24-16-4-2-3-13-11-15(19(23)25-17(13)16)18(22)21-10-9-12-5-7-14(20)8-6-12/h2-8,11H,9-10H2,1H3,(H,21,22)
InChIKeyTXTINACPSUZIKU-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.91
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide

N-[2-(4-fluorophenyl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide (PubChem CID 26795926) has the molecular formula C19H16FNO4 and a molecular weight of 341.34 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide
PubChem CID26795926
Molecular FormulaC19H16FNO4
Molecular Weight341.34 g/mol
Exact Mass341.11
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)oc12
InChIInChI=1S/C19H16FNO4/c1-24-16-4-2-3-13-11-15(19(23)25-17(13)16)18(22)21-10-9-12-5-7-14(20)8-6-12/h2-8,11H,9-10H2,1H3,(H,21,22)
InChIKeyTXTINACPSUZIKU-UHFFFAOYSA-N
XLogP2.91
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide
CID 1244317
N-[2-(4-hydroxyphenyl)ethyl]-2-imino-8-methoxychromene-3-carboxamide
CID 70696536
N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 749756
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 39966511
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-8-methoxychromene-3-carboxamide
CID 17379757
5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31069458
7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-2-oxochromene-3-carboxamide
CID 118708727
(4-fluorophenyl) 8-methoxy-2-oxochromene-3-carboxylate
CID 1264861
N-(2,6-diethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 7470756
8-chloro-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide
CID 100794727
8-ethoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide
CID 16645433
N-(2-hydroxy-2-naphthalen-1-ylethyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 90497338

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide (CID 26795926) is N-[2-(4-fluorophenyl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide is COc1cccc2cc(C(=O)NCCc3ccc(F)cc3)c(=O)oc12.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is TXTINACPSUZIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4/c1-24-16-4-2-3-13-11-15(19(23)25-17(13)16)18(22)21-10-9-12-5-7-14(20)8-6-12/h2-8,11H,9-10H2,1H3,(H,21,22).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide has a molecular weight of 341.34 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 26795926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).