N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-oxochromene-2-carboxamide

C20H18FNO4 — CID 90599147

IUPACN-[2-(2-fluorophenyl)-2-methoxypropyl]-4-oxochromene-2-carboxamide
SMILESCOC(C)(CNC(=O)c1cc(=O)c2ccccc2o1)c1ccccc1F
InChIInChI=1S/C20H18FNO4/c1-20(25-2,14-8-4-5-9-15(14)21)12-22-19(24)18-11-16(23)13-7-3-6-10-17(13)26-18/h3-11H,12H2,1-2H3,(H,22,24)
InChIKeyBYSHMQGVFAGNEE-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.22
Rot. Bonds5

About N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-oxochromene-2-carboxamide

N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-oxochromene-2-carboxamide (PubChem CID 90599147) has the molecular formula C20H18FNO4 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-4-oxochromene-2-carboxamide
PubChem CID90599147
Molecular FormulaC20H18FNO4
Molecular Weight355.37 g/mol
Exact Mass355.12
IUPAC NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-4-oxochromene-2-carboxamide
SMILESCOC(C)(CNC(=O)c1cc(=O)c2ccccc2o1)c1ccccc1F
InChIInChI=1S/C20H18FNO4/c1-20(25-2,14-8-4-5-9-15(14)21)12-22-19(24)18-11-16(23)13-7-3-6-10-17(13)26-18/h3-11H,12H2,1-2H3,(H,22,24)
InChIKeyBYSHMQGVFAGNEE-UHFFFAOYSA-N
XLogP3.22
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-benzofuran-2-carboxamide
CID 90599093
N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 97428375
N-(2-aminoethyl)-4-oxochromene-2-carboxamide
CID 54880765
N-(2-hydroxy-2-methylpentyl)-4-oxochromene-2-carboxamide
CID 103713082
N-(2-cyclopropyl-2-hydroxypropyl)-4-oxochromene-2-carboxamide
CID 90499300
2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid
CID 62675118
4-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzamide
CID 90599067
2-chloro-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]benzamide
CID 97428331
N-benzyl-N'-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]oxamide
CID 97428501
2-(3,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide
CID 90599157
N-butyl-4-oxochromene-2-carboxamide
CID 11253603
ethyl N-[2-(2-fluorophenyl)-2-methoxypropyl]carbamate
CID 71810594

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-oxochromene-2-carboxamide (CID 90599147) is N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-oxochromene-2-carboxamide is COC(C)(CNC(=O)c1cc(=O)c2ccccc2o1)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-oxochromene-2-carboxamide?
The InChIKey is BYSHMQGVFAGNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4/c1-20(25-2,14-8-4-5-9-15(14)21)12-22-19(24)18-11-16(23)13-7-3-6-10-17(13)26-18/h3-11H,12H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-oxochromene-2-carboxamide?
N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-oxochromene-2-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 90599147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).