N-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-oxochromene-3-carboxamide

C20H18FNO4 — CID 3221333

IUPACN-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-oxochromene-3-carboxamide
SMILESCOCCN(Cc1ccc(F)cc1)C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C20H18FNO4/c1-25-11-10-22(13-14-6-8-16(21)9-7-14)19(23)17-12-15-4-2-3-5-18(15)26-20(17)24/h2-9,12H,10-11,13H2,1H3
InChIKeyVBPLUGIAEYBIMT-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.22
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-oxochromene-3-carboxamide

N-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-oxochromene-3-carboxamide (PubChem CID 3221333) has the molecular formula C20H18FNO4 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-oxochromene-3-carboxamide
PubChem CID3221333
Molecular FormulaC20H18FNO4
Molecular Weight355.37 g/mol
Exact Mass355.12
IUPAC NameN-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-oxochromene-3-carboxamide
SMILESCOCCN(Cc1ccc(F)cc1)C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C20H18FNO4/c1-25-11-10-22(13-14-6-8-16(21)9-7-14)19(23)17-12-15-4-2-3-5-18(15)26-20(17)24/h2-9,12H,10-11,13H2,1H3
InChIKeyVBPLUGIAEYBIMT-UHFFFAOYSA-N
XLogP3.22
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Oxo-N-(phenylmethyl)-2H-1-benzopyran-3-carboxamide
CID 120587
2-oxo-N-(2-phenylethyl)-2H-chromene-3-carboxamide
CID 728535
2-oxo-N-(1-phenylethyl)-2H-chromene-3-carboxamide
CID 2788317
3-(4-Morpholinylcarbonyl)-2H-1-benzopyran-2-one
CID 28914
2H-1-Benzopyran-3-carboxamide, N,N'-1,4-butanediylbis[2-oxo-
CID 3559465
Coumarin, 3-(piperidinocarbonyl)-
CID 28913
3-(4-Benzoylpiperazine-1-carbonyl)coumarin
CID 1143426
N-[2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 869121
8-Allyl-3-(morpholine-4-carbonyl)-chromen-2-one
CID 1108244
3-Phenyl-acrylic acid 2-(morpholine-4-carbothioyl)-phenyl ester
CID 1142407
N-[2-(4-fluorophenyl)ethyl]-2-oxo-2H-chromene-3-carboxamide
CID 1244317
8-Ethoxy-3-(morpholin-4-ylcarbonyl)chromen-2-one
CID 1247427

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-oxochromene-3-carboxamide (CID 3221333) is N-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-oxochromene-3-carboxamide is COCCN(Cc1ccc(F)cc1)C(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-oxochromene-3-carboxamide?
The InChIKey is VBPLUGIAEYBIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4/c1-25-11-10-22(13-14-6-8-16(21)9-7-14)19(23)17-12-15-4-2-3-5-18(15)26-20(17)24/h2-9,12H,10-11,13H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-oxochromene-3-carboxamide?
N-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-oxochromene-3-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 3221333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).