N-(2,4-difluorophenyl)-3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanamide

C19H15F2NO4 — CID 6236717

IUPACN-(2,4-difluorophenyl)-3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanamide
SMILESCc1c(CCC(=O)Nc2ccc(F)cc2F)c(=O)oc2cc(O)ccc12
InChIInChI=1S/C19H15F2NO4/c1-10-13-4-3-12(23)9-17(13)26-19(25)14(10)5-7-18(24)22-16-6-2-11(20)8-15(16)21/h2-4,6,8-9,23H,5,7H2,1H3,(H,22,24)
InChIKeyFBNCHTGWMMVORM-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.66
Rot. Bonds4

About N-(2,4-difluorophenyl)-3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanamide

N-(2,4-difluorophenyl)-3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanamide (PubChem CID 6236717) has the molecular formula C19H15F2NO4 and a molecular weight of 359.33 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanamide
PubChem CID6236717
Molecular FormulaC19H15F2NO4
Molecular Weight359.33 g/mol
Exact Mass359.10
IUPAC NameN-(2,4-difluorophenyl)-3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanamide
SMILESCc1c(CCC(=O)Nc2ccc(F)cc2F)c(=O)oc2cc(O)ccc12
InChIInChI=1S/C19H15F2NO4/c1-10-13-4-3-12(23)9-17(13)26-19(25)14(10)5-7-18(24)22-16-6-2-11(20)8-15(16)21/h2-4,6,8-9,23H,5,7H2,1H3,(H,22,24)
InChIKeyFBNCHTGWMMVORM-UHFFFAOYSA-N
XLogP3.66
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.66
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

2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]acetic acid
CID 5417130
5-(7-hydroxy-4-methyl-2-oxochromen-3-yl)pentanoic acid
CID 174692829
ethyl 3-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]benzoate
CID 6237174
7-hydroxy-3-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-4-methylchromen-2-one
CID 10473941
(2S)-2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-2-phenylacetic acid
CID 6568880
N-(2-bromophenyl)-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide
CID 17498930
N-(2,4-dimethylphenyl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 51272005
N-[2-(2-fluorophenyl)ethyl]-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 6229285
N-(4-fluorophenyl)-3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanamide
CID 6225547
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate
CID 6921838
(2S)-5-(carbamoylamino)-2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]pentanoic acid
CID 6851429
(2R)-3-benzylsulfanyl-2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoic acid
CID 6851200

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanamide (CID 6236717) is N-(2,4-difluorophenyl)-3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanamide is Cc1c(CCC(=O)Nc2ccc(F)cc2F)c(=O)oc2cc(O)ccc12.
What is the InChIKey of N-(2,4-difluorophenyl)-3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanamide?
The InChIKey is FBNCHTGWMMVORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO4/c1-10-13-4-3-12(23)9-17(13)26-19(25)14(10)5-7-18(24)22-16-6-2-11(20)8-15(16)21/h2-4,6,8-9,23H,5,7H2,1H3,(H,22,24).
What are the key properties of N-(2,4-difluorophenyl)-3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanamide?
N-(2,4-difluorophenyl)-3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanamide has a molecular weight of 359.33 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanamide is sourced from PubChem (CID 6236717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).