N-[(4-fluorophenyl)methyl]-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide

C25H20FNO3 — CID 1433068

IUPACN-[(4-fluorophenyl)methyl]-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide
SMILESO=C(c1cc2ccccc2oc1=O)N(CCc1ccccc1)Cc1ccc(F)cc1
InChIInChI=1S/C25H20FNO3/c26-21-12-10-19(11-13-21)17-27(15-14-18-6-2-1-3-7-18)24(28)22-16-20-8-4-5-9-23(20)30-25(22)29/h1-13,16H,14-15,17H2
InChIKeyWUGDCSZVKBWGMX-UHFFFAOYSA-N
MW401.44 g/mol
LogP4.82
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide

N-[(4-fluorophenyl)methyl]-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide (PubChem CID 1433068) has the molecular formula C25H20FNO3 and a molecular weight of 401.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide
PubChem CID1433068
Molecular FormulaC25H20FNO3
Molecular Weight401.44 g/mol
Exact Mass401.14
IUPAC NameN-[(4-fluorophenyl)methyl]-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide
SMILESO=C(c1cc2ccccc2oc1=O)N(CCc1ccccc1)Cc1ccc(F)cc1
InChIInChI=1S/C25H20FNO3/c26-21-12-10-19(11-13-21)17-27(15-14-18-6-2-1-3-7-18)24(28)22-16-20-8-4-5-9-23(20)30-25(22)29/h1-13,16H,14-15,17H2
InChIKeyWUGDCSZVKBWGMX-UHFFFAOYSA-N
XLogP4.82
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 54.82
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-benzyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide
CID 1432995
N-[(2-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide
CID 1433119
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide
CID 3221339
N-[(2R)-butan-2-yl]-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide
CID 6557653
N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide
CID 1244317
N-ethyl-N-(4-fluorophenyl)-2-oxochromene-3-carboxamide
CID 51198607
3-[ethyl-(2-oxochromene-3-carbonyl)amino]propanoic acid
CID 61008302
N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)chromene-3-carboxamide
CID 110440706
N',N'-dibenzyl-2-oxochromene-3-carbohydrazide
CID 9293863
N-(1-benzofuran-2-ylmethyl)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 42796265
N-methyl-N-(naphthalen-2-ylmethyl)-2-oxochromene-3-carboxamide
CID 18115026
N-[(4-ethylphenyl)methyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 6557652

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide (CID 1433068) is N-[(4-fluorophenyl)methyl]-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide is O=C(c1cc2ccccc2oc1=O)N(CCc1ccccc1)Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide?
The InChIKey is WUGDCSZVKBWGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FNO3/c26-21-12-10-19(11-13-21)17-27(15-14-18-6-2-1-3-7-18)24(28)22-16-20-8-4-5-9-23(20)30-25(22)29/h1-13,16H,14-15,17H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide?
N-[(4-fluorophenyl)methyl]-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide has a molecular weight of 401.44 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide is sourced from PubChem (CID 1433068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).