N-[(2-fluorophenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide

C22H20FNO4 — CID 3221325

IUPACN-[(2-fluorophenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
SMILESO=C(c1cc2ccccc2oc1=O)N(Cc1ccccc1F)CC1CCCO1
InChIInChI=1S/C22H20FNO4/c23-19-9-3-1-7-16(19)13-24(14-17-8-5-11-27-17)21(25)18-12-15-6-2-4-10-20(15)28-22(18)26/h1-4,6-7,9-10,12,17H,5,8,11,13-14H2
InChIKeyWMADYIRUEMSKSF-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.75
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide

N-[(2-fluorophenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide (PubChem CID 3221325) has the molecular formula C22H20FNO4 and a molecular weight of 381.40 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
PubChem CID3221325
Molecular FormulaC22H20FNO4
Molecular Weight381.40 g/mol
Exact Mass381.14
IUPAC NameN-[(2-fluorophenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
SMILESO=C(c1cc2ccccc2oc1=O)N(Cc1ccccc1F)CC1CCCO1
InChIInChI=1S/C22H20FNO4/c23-19-9-3-1-7-16(19)13-24(14-17-8-5-11-27-17)21(25)18-12-15-6-2-4-10-20(15)28-22(18)26/h1-4,6-7,9-10,12,17H,5,8,11,13-14H2
InChIKeyWMADYIRUEMSKSF-UHFFFAOYSA-N
XLogP3.75
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.75
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

N-ethyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 94489620
N-[(2,3-dimethoxyphenyl)methyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 1433078
N-[(4-ethylphenyl)methyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 6557652
2-chloro-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19120008
2-oxo-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)chromene-3-carboxamide
CID 71890174
2-bromo-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19120010
N-[(3-methoxyphenyl)methyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 1157396
N-[(2-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide
CID 1433119
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 24678704
N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-phenoxyacetamide
CID 19120015
6-bromo-N-[(2-fluorophenyl)methyl]-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 19120202
N-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 95225190

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide (CID 3221325) is N-[(2-fluorophenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide is O=C(c1cc2ccccc2oc1=O)N(Cc1ccccc1F)CC1CCCO1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
The InChIKey is WMADYIRUEMSKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO4/c23-19-9-3-1-7-16(19)13-24(14-17-8-5-11-27-17)21(25)18-12-15-6-2-4-10-20(15)28-22(18)26/h1-4,6-7,9-10,12,17H,5,8,11,13-14H2.
What are the key properties of N-[(2-fluorophenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
N-[(2-fluorophenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide has a molecular weight of 381.40 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide is sourced from PubChem (CID 3221325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).