N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-4-methyl-2-oxochromene-3-carboxamide

C19H16FNO4 — CID 97003092

IUPACN-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-4-methyl-2-oxochromene-3-carboxamide
SMILESCc1c(C(=O)NC[C@H](O)c2cccc(F)c2)c(=O)oc2ccccc12
InChIInChI=1S/C19H16FNO4/c1-11-14-7-2-3-8-16(14)25-19(24)17(11)18(23)21-10-15(22)12-5-4-6-13(20)9-12/h2-9,15,22H,10H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyFGMRMUXGTPVZBY-HNNXBMFYSA-N
MW341.34 g/mol
LogP2.70
Rot. Bonds4

About N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-4-methyl-2-oxochromene-3-carboxamide

N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-4-methyl-2-oxochromene-3-carboxamide (PubChem CID 97003092) has the molecular formula C19H16FNO4 and a molecular weight of 341.34 g/mol. Its IUPAC name is N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-4-methyl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-4-methyl-2-oxochromene-3-carboxamide
PubChem CID97003092
Molecular FormulaC19H16FNO4
Molecular Weight341.34 g/mol
Exact Mass341.11
IUPAC NameN-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-4-methyl-2-oxochromene-3-carboxamide
SMILESCc1c(C(=O)NC[C@H](O)c2cccc(F)c2)c(=O)oc2ccccc12
InChIInChI=1S/C19H16FNO4/c1-11-14-7-2-3-8-16(14)25-19(24)17(11)18(23)21-10-15(22)12-5-4-6-13(20)9-12/h2-9,15,22H,10H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyFGMRMUXGTPVZBY-HNNXBMFYSA-N
XLogP2.70
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.70
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

N-(3-hydroxybutyl)-4-methyl-2-oxochromene-3-carboxamide
CID 111840756
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2-methylphenyl)acetamide
CID 51094283
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(methylamino)acetamide
CID 119755074
N-(2-amino-2-ethylbutyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride
CID 119642890
(2S)-2-amino-N-[2-(3-fluorophenyl)-2-hydroxyethyl]propanamide
CID 119306982
4-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide;hydrochloride
CID 119513544
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methyl-2-oxochromene-3-carboxamide
CID 91644124
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2,4,5-trifluorophenyl)acetamide
CID 167863503
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-hydroxy-3-methoxy-5-methylbenzamide
CID 56782034
1-[1-(1-benzofuran-2-yl)ethyl]-3-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-methylguanidine;hydroiodide
CID 119133304
N-(2-amino-1-cyclopropylethyl)-4-methyl-2-oxochromene-3-carboxamide
CID 119616565
N-(2-hydroxy-2-phenylethyl)-2,4,6-trimethylbenzamide
CID 43416361

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-4-methyl-2-oxochromene-3-carboxamide?
The IUPAC name of N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-4-methyl-2-oxochromene-3-carboxamide (CID 97003092) is N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-4-methyl-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-4-methyl-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-4-methyl-2-oxochromene-3-carboxamide is Cc1c(C(=O)NC[C@H](O)c2cccc(F)c2)c(=O)oc2ccccc12.
What is the InChIKey of N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-4-methyl-2-oxochromene-3-carboxamide?
The InChIKey is FGMRMUXGTPVZBY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H16FNO4/c1-11-14-7-2-3-8-16(14)25-19(24)17(11)18(23)21-10-15(22)12-5-4-6-13(20)9-12/h2-9,15,22H,10H2,1H3,(H,21,23)/t15-/m0/s1.
What are the key properties of N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-4-methyl-2-oxochromene-3-carboxamide?
N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-4-methyl-2-oxochromene-3-carboxamide has a molecular weight of 341.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-4-methyl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 97003092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).