6-fluoro-N-[(4-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide

C22H19F2NO4 — CID 43843151

IUPAC6-fluoro-N-[(4-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide
SMILESO=C(c1cc(=O)c2cc(F)ccc2o1)N(Cc1ccc(F)cc1)CC1CCCO1
InChIInChI=1S/C22H19F2NO4/c23-15-5-3-14(4-6-15)12-25(13-17-2-1-9-28-17)22(27)21-11-19(26)18-10-16(24)7-8-20(18)29-21/h3-8,10-11,17H,1-2,9,12-13H2
InChIKeyJEXVPPHJDVYMIJ-UHFFFAOYSA-N
MW399.39 g/mol
LogP3.89
Rot. Bonds5

About 6-fluoro-N-[(4-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide

6-fluoro-N-[(4-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide (PubChem CID 43843151) has the molecular formula C22H19F2NO4 and a molecular weight of 399.39 g/mol. Its IUPAC name is 6-fluoro-N-[(4-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[(4-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide
PubChem CID43843151
Molecular FormulaC22H19F2NO4
Molecular Weight399.39 g/mol
Exact Mass399.13
IUPAC Name6-fluoro-N-[(4-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide
SMILESO=C(c1cc(=O)c2cc(F)ccc2o1)N(Cc1ccc(F)cc1)CC1CCCO1
InChIInChI=1S/C22H19F2NO4/c23-15-5-3-14(4-6-15)12-25(13-17-2-1-9-28-17)22(27)21-11-19(26)18-10-16(24)7-8-20(18)29-21/h3-8,10-11,17H,1-2,9,12-13H2
InChIKeyJEXVPPHJDVYMIJ-UHFFFAOYSA-N
XLogP3.89
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.39
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-N-[(4-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-ethylphenyl)methyl]-6-fluoro-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541235
6-fluoro-N-[(4-methoxyphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide
CID 43843506
6-fluoro-N-[(5-methylfuran-2-yl)methyl]-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541197
6-fluoro-N-(furan-2-ylmethyl)-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541191
N-[(4-chlorophenyl)methyl]-6,7-dimethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 40871229
6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35344277
N-[(4-fluorophenyl)methyl]-3,5,6-trimethyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 19120160
6-bromo-N-(furan-2-ylmethyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541273
4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-2-carboxamide
CID 35541317
6-fluoro-2-[3-(oxan-2-yl)propanoyl]chromen-4-one
CID 159966896
2-fluoro-N-[(4-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 51895882
N-[(4-fluorophenyl)methyl]-4-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 19119950

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(4-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide?
The IUPAC name of 6-fluoro-N-[(4-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide (CID 43843151) is 6-fluoro-N-[(4-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[(4-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[(4-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide is O=C(c1cc(=O)c2cc(F)ccc2o1)N(Cc1ccc(F)cc1)CC1CCCO1.
What is the InChIKey of 6-fluoro-N-[(4-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide?
The InChIKey is JEXVPPHJDVYMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2NO4/c23-15-5-3-14(4-6-15)12-25(13-17-2-1-9-28-17)22(27)21-11-19(26)18-10-16(24)7-8-20(18)29-21/h3-8,10-11,17H,1-2,9,12-13H2.
What are the key properties of 6-fluoro-N-[(4-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide?
6-fluoro-N-[(4-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide has a molecular weight of 399.39 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(4-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide is sourced from PubChem (CID 43843151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).