2-(3,5-difluorophenyl)imino-7-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide

C21H18F2N2O4 — CID 136777806

IUPAC2-(3,5-difluorophenyl)imino-7-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1cc2ccc(O)cc2o/c1=N\c1cc(F)cc(F)c1
InChIInChI=1S/C21H18F2N2O4/c22-13-7-14(23)9-15(8-13)25-21-18(20(27)24-11-17-2-1-5-28-17)6-12-3-4-16(26)10-19(12)29-21/h3-4,6-10,17,26H,1-2,5,11H2,(H,24,27)/b25-21-/t17-/m1/s1
InChIKeyPXRVYIWYVQEKOE-PVCXERSVSA-N
MW400.38 g/mol
LogP3.56
Rot. Bonds4

About 2-(3,5-difluorophenyl)imino-7-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide

2-(3,5-difluorophenyl)imino-7-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide (PubChem CID 136777806) has the molecular formula C21H18F2N2O4 and a molecular weight of 400.38 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)imino-7-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)imino-7-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
PubChem CID136777806
Molecular FormulaC21H18F2N2O4
Molecular Weight400.38 g/mol
Exact Mass400.12
IUPAC Name2-(3,5-difluorophenyl)imino-7-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1cc2ccc(O)cc2o/c1=N\c1cc(F)cc(F)c1
InChIInChI=1S/C21H18F2N2O4/c22-13-7-14(23)9-15(8-13)25-21-18(20(27)24-11-17-2-1-5-28-17)6-12-3-4-16(26)10-19(12)29-21/h3-4,6-10,17,26H,1-2,5,11H2,(H,24,27)/b25-21-/t17-/m1/s1
InChIKeyPXRVYIWYVQEKOE-PVCXERSVSA-N
XLogP3.56
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.38
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3,5-difluorophenyl)imino-7-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-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

2-(3-fluorophenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 135631749
7-hydroxy-N-(oxolan-2-ylmethyl)-2-phenyliminochromene-3-carboxamide
CID 135631732
7-hydroxy-2-(4-methylsulfanylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 135631778
7-hydroxy-2-(3-methylsulfanylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 136777779
2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 136777862
7-hydroxy-N-[[(2S)-oxolan-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
CID 136777825
7-hydroxy-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 5413280
2-(2,5-dimethoxyphenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 135496484
2-fluoro-4-hydroxy-N-(oxolan-2-ylmethyl)benzamide
CID 113355583
6-chloro-2-(4-chloro-2-fluorophenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184948
6-chloro-2-(4-fluoro-3-methylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184972
6-chloro-2-(5-chloro-2-fluorophenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184990

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)imino-7-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide?
The IUPAC name of 2-(3,5-difluorophenyl)imino-7-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide (CID 136777806) is 2-(3,5-difluorophenyl)imino-7-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)imino-7-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide?
The canonical SMILES for 2-(3,5-difluorophenyl)imino-7-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide is O=C(NC[C@H]1CCCO1)c1cc2ccc(O)cc2o/c1=N\c1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)imino-7-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide?
The InChIKey is PXRVYIWYVQEKOE-PVCXERSVSA-N. The full InChI is InChI=1S/C21H18F2N2O4/c22-13-7-14(23)9-15(8-13)25-21-18(20(27)24-11-17-2-1-5-28-17)6-12-3-4-16(26)10-19(12)29-21/h3-4,6-10,17,26H,1-2,5,11H2,(H,24,27)/b25-21-/t17-/m1/s1.
What are the key properties of 2-(3,5-difluorophenyl)imino-7-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide?
2-(3,5-difluorophenyl)imino-7-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide has a molecular weight of 400.38 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)imino-7-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide is sourced from PubChem (CID 136777806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).