2,3-difluoro-6-methoxy-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide

C19H19F2NO4 — CID 72923027

IUPAC2,3-difluoro-6-methoxy-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide
SMILESCOc1ccc2c(c1)OCC(CNC(=O)c1c(OC)ccc(F)c1F)C2
InChIInChI=1S/C19H19F2NO4/c1-24-13-4-3-12-7-11(10-26-16(12)8-13)9-22-19(23)17-15(25-2)6-5-14(20)18(17)21/h3-6,8,11H,7,9-10H2,1-2H3,(H,22,23)
InChIKeyVQADSBNOUUEYBM-UHFFFAOYSA-N
MW363.36 g/mol
LogP2.96
Rot. Bonds5

About 2,3-difluoro-6-methoxy-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide

2,3-difluoro-6-methoxy-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide (PubChem CID 72923027) has the molecular formula C19H19F2NO4 and a molecular weight of 363.36 g/mol. Its IUPAC name is 2,3-difluoro-6-methoxy-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-6-methoxy-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide
PubChem CID72923027
Molecular FormulaC19H19F2NO4
Molecular Weight363.36 g/mol
Exact Mass363.13
IUPAC Name2,3-difluoro-6-methoxy-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide
SMILESCOc1ccc2c(c1)OCC(CNC(=O)c1c(OC)ccc(F)c1F)C2
InChIInChI=1S/C19H19F2NO4/c1-24-13-4-3-12-7-11(10-26-16(12)8-13)9-22-19(23)17-15(25-2)6-5-14(20)18(17)21/h3-6,8,11H,7,9-10H2,1-2H3,(H,22,23)
InChIKeyVQADSBNOUUEYBM-UHFFFAOYSA-N
XLogP2.96
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-4-carboxamide
CID 97142134
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97275918
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97275919
3,3,3-trifluoro-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]propanamide
CID 97147039
2-amino-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methylpropanamide
CID 72923552
N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]thiophene-3-carboxamide
CID 72888189
4,4,4-trifluoro-N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]butanamide
CID 97153393
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 97122083
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N',N'-dimethylbutanediamide
CID 97279612
4-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methylcarbamoyl]-1H-imidazole-5-carboxylic acid
CID 74240064
N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 72855713
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-pyrrolidin-1-ylbenzamide
CID 97123888

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-6-methoxy-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide?
The IUPAC name of 2,3-difluoro-6-methoxy-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide (CID 72923027) is 2,3-difluoro-6-methoxy-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide.
What is the SMILES notation for 2,3-difluoro-6-methoxy-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide?
The canonical SMILES for 2,3-difluoro-6-methoxy-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide is COc1ccc2c(c1)OCC(CNC(=O)c1c(OC)ccc(F)c1F)C2.
What is the InChIKey of 2,3-difluoro-6-methoxy-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide?
The InChIKey is VQADSBNOUUEYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO4/c1-24-13-4-3-12-7-11(10-26-16(12)8-13)9-22-19(23)17-15(25-2)6-5-14(20)18(17)21/h3-6,8,11H,7,9-10H2,1-2H3,(H,22,23).
What are the key properties of 2,3-difluoro-6-methoxy-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide?
2,3-difluoro-6-methoxy-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide has a molecular weight of 363.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-6-methoxy-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide is sourced from PubChem (CID 72923027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).