N-(4-fluorophenyl)-3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanamide

C20H18FNO4 — CID 6225547

IUPACN-(4-fluorophenyl)-3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanamide
SMILESCc1c(CCC(=O)Nc2ccc(F)cc2)c(=O)oc2c(C)c(O)ccc12
InChIInChI=1S/C20H18FNO4/c1-11-15-7-9-17(23)12(2)19(15)26-20(25)16(11)8-10-18(24)22-14-5-3-13(21)4-6-14/h3-7,9,23H,8,10H2,1-2H3,(H,22,24)
InChIKeyWZDYTRLTUVFROI-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.83
Rot. Bonds4

About N-(4-fluorophenyl)-3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanamide

N-(4-fluorophenyl)-3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanamide (PubChem CID 6225547) has the molecular formula C20H18FNO4 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanamide
PubChem CID6225547
Molecular FormulaC20H18FNO4
Molecular Weight355.37 g/mol
Exact Mass355.12
IUPAC NameN-(4-fluorophenyl)-3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanamide
SMILESCc1c(CCC(=O)Nc2ccc(F)cc2)c(=O)oc2c(C)c(O)ccc12
InChIInChI=1S/C20H18FNO4/c1-11-15-7-9-17(23)12(2)19(15)26-20(25)16(11)8-10-18(24)22-14-5-3-13(21)4-6-14/h3-7,9,23H,8,10H2,1-2H3,(H,22,24)
InChIKeyWZDYTRLTUVFROI-UHFFFAOYSA-N
XLogP3.83
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[4-(2-hydroxyethyl)phenyl]propanamide
CID 6225415
3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoate
CID 6295260
(2S)-2-[3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]propanoic acid
CID 5417153
ethyl 3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoate
CID 5417098
(2S,3R)-2-[3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]-3-methylpentanoic acid
CID 6351665
N-[(4-fluorophenyl)methyl]-3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide
CID 23606081
(2R)-3-(4-chlorophenyl)-2-[3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]propanoic acid
CID 45105190
2-[3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]-3-(1H-indol-3-yl)propanoic acid
CID 6070525
N-(2,4-difluorophenyl)-3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 6236717
2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 6229318
methyl 4-[[2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetyl]amino]benzoate
CID 4900058
(2S)-1-[3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoyl]piperidine-2-carboxylic acid
CID 6358080

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanamide?
The IUPAC name of N-(4-fluorophenyl)-3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanamide (CID 6225547) is N-(4-fluorophenyl)-3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanamide?
The canonical SMILES for N-(4-fluorophenyl)-3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanamide is Cc1c(CCC(=O)Nc2ccc(F)cc2)c(=O)oc2c(C)c(O)ccc12.
What is the InChIKey of N-(4-fluorophenyl)-3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanamide?
The InChIKey is WZDYTRLTUVFROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4/c1-11-15-7-9-17(23)12(2)19(15)26-20(25)16(11)8-10-18(24)22-14-5-3-13(21)4-6-14/h3-7,9,23H,8,10H2,1-2H3,(H,22,24).
What are the key properties of N-(4-fluorophenyl)-3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanamide?
N-(4-fluorophenyl)-3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanamide has a molecular weight of 355.37 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanamide is sourced from PubChem (CID 6225547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).