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

C24H17F2NO3 — CID 1433119

IUPACN-[(2-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide
SMILESO=C(c1cc2ccccc2oc1=O)N(Cc1ccc(F)cc1)Cc1ccccc1F
InChIInChI=1S/C24H17F2NO3/c25-19-11-9-16(10-12-19)14-27(15-18-6-1-3-7-21(18)26)23(28)20-13-17-5-2-4-8-22(17)30-24(20)29/h1-13H,14-15H2
InChIKeySRWAGKISVPGIME-UHFFFAOYSA-N
MW405.40 g/mol
LogP4.91
Rot. Bonds5

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

N-[(2-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide (PubChem CID 1433119) has the molecular formula C24H17F2NO3 and a molecular weight of 405.40 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide
PubChem CID1433119
Molecular FormulaC24H17F2NO3
Molecular Weight405.40 g/mol
Exact Mass405.12
IUPAC NameN-[(2-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide
SMILESO=C(c1cc2ccccc2oc1=O)N(Cc1ccc(F)cc1)Cc1ccccc1F
InChIInChI=1S/C24H17F2NO3/c25-19-11-9-16(10-12-19)14-27(15-18-6-1-3-7-21(18)26)23(28)20-13-17-5-2-4-8-22(17)30-24(20)29/h1-13H,14-15H2
InChIKeySRWAGKISVPGIME-UHFFFAOYSA-N
XLogP4.91
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 54.91
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-[(4-fluorophenyl)methyl]-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide
CID 1433068
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide
CID 3221339
N-[(2-fluorophenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 3221325
N-[(2R)-butan-2-yl]-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide
CID 6557653
N-benzyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide
CID 1432995
N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide
CID 1244317
N-ethyl-N-(4-fluorophenyl)-2-oxochromene-3-carboxamide
CID 51198607
N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide
CID 1433064
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-oxochromene-3-carboxamide
CID 8743684
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
7-[(2-fluorophenyl)methyl-methylamino]-2-oxochromene-3-carboxylic acid
CID 121295069

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide (CID 1433119) is N-[(2-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide is O=C(c1cc2ccccc2oc1=O)N(Cc1ccc(F)cc1)Cc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide?
The InChIKey is SRWAGKISVPGIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2NO3/c25-19-11-9-16(10-12-19)14-27(15-18-6-1-3-7-21(18)26)23(28)20-13-17-5-2-4-8-22(17)30-24(20)29/h1-13H,14-15H2.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide?
N-[(2-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide has a molecular weight of 405.40 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 1433119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).