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

C20H16FNO3 — CID 3221339

IUPACN-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide
SMILESO=C(c1cc2ccccc2oc1=O)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C20H16FNO3/c21-15-7-5-13(6-8-15)12-22(16-9-10-16)19(23)17-11-14-3-1-2-4-18(14)25-20(17)24/h1-8,11,16H,9-10,12H2
InChIKeyCODFVLXKWBJNRP-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.74
Rot. Bonds4

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

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide (PubChem CID 3221339) has the molecular formula C20H16FNO3 and a molecular weight of 337.35 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide
PubChem CID3221339
Molecular FormulaC20H16FNO3
Molecular Weight337.35 g/mol
Exact Mass337.11
IUPAC NameN-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide
SMILESO=C(c1cc2ccccc2oc1=O)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C20H16FNO3/c21-15-7-5-13(6-8-15)12-22(16-9-10-16)19(23)17-11-14-3-1-2-4-18(14)25-20(17)24/h1-8,11,16H,9-10,12H2
InChIKeyCODFVLXKWBJNRP-UHFFFAOYSA-N
XLogP3.74
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-oxochromene-3-carboxamide
CID 86925520
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]-2-oxochromene-3-carboxamide
CID 40643645
N-[(4-fluorophenyl)methyl]-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide
CID 1433068
N-[(2-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide
CID 1433119
N-[(2R)-butan-2-yl]-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide
CID 6557653
N-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]-2-oxochromene-3-carboxamide
CID 3221341
N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)-2-oxochromene-3-carboxamide
CID 4615689
N-(azetidin-3-yl)-N-ethyl-2-oxochromene-3-carboxamide
CID 66182545
N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide
CID 1244317
N-ethyl-N-(4-fluorophenyl)-2-oxochromene-3-carboxamide
CID 51198607
2-oxo-N-propyl-N-pyrrolidin-3-ylchromene-3-carboxamide
CID 119531116
N-methyl-2-oxo-N-piperidin-4-ylchromene-3-carboxamide
CID 43602148

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide (CID 3221339) is N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide is O=C(c1cc2ccccc2oc1=O)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide?
The InChIKey is CODFVLXKWBJNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO3/c21-15-7-5-13(6-8-15)12-22(16-9-10-16)19(23)17-11-14-3-1-2-4-18(14)25-20(17)24/h1-8,11,16H,9-10,12H2.
What are the key properties of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide?
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide has a molecular weight of 337.35 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 3221339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).