N-[(3-fluorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide

C18H16FNO3 — CID 22578403

IUPACN-[(3-fluorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)C=C(C(=O)NCc1cccc(F)c1)CO2
InChIInChI=1S/C18H16FNO3/c1-22-16-5-6-17-13(9-16)8-14(11-23-17)18(21)20-10-12-3-2-4-15(19)7-12/h2-9H,10-11H2,1H3,(H,20,21)
InChIKeyXZKJFNBPISOSJH-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.93
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide

N-[(3-fluorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide (PubChem CID 22578403) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide
PubChem CID22578403
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC NameN-[(3-fluorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)C=C(C(=O)NCc1cccc(F)c1)CO2
InChIInChI=1S/C18H16FNO3/c1-22-16-5-6-17-13(9-16)8-14(11-23-17)18(21)20-10-12-3-2-4-15(19)7-12/h2-9H,10-11H2,1H3,(H,20,21)
InChIKeyXZKJFNBPISOSJH-UHFFFAOYSA-N
XLogP2.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide
CID 9456326
N-[(4-chlorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 1478817
6-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide
CID 167953925
N-(2,6-dimethylphenyl)-6-methoxy-2H-chromene-3-carboxamide
CID 22578350
N-[(2R)-2-(ethylamino)propyl]-6-methoxy-2H-chromene-3-carboxamide
CID 120654267
2-phenylethyl 6-methoxy-2H-chromene-3-carboxylate
CID 1478823
N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 120947707
N-(3-chlorophenyl)-6-methoxy-2H-chromene-3-carboxamide
CID 1478813
6-bromo-N-[(3-chlorophenyl)methyl]-2H-chromene-3-carboxamide
CID 22578485
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
N-(3,5-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide
CID 46488602
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-2H-chromene-3-carboxamide
CID 166186910

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide (CID 22578403) is N-[(3-fluorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide is COc1ccc2c(c1)C=C(C(=O)NCc1cccc(F)c1)CO2.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide?
The InChIKey is XZKJFNBPISOSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3/c1-22-16-5-6-17-13(9-16)8-14(11-23-17)18(21)20-10-12-3-2-4-15(19)7-12/h2-9H,10-11H2,1H3,(H,20,21).
What are the key properties of N-[(3-fluorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide?
N-[(3-fluorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide has a molecular weight of 313.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide is sourced from PubChem (CID 22578403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).