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

C18H14FNO3 — CID 1244317

IUPACN-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C18H14FNO3/c19-14-7-5-12(6-8-14)9-10-20-17(21)15-11-13-3-1-2-4-16(13)23-18(15)22/h1-8,11H,9-10H2,(H,20,21)
InChIKeyJZFLJPQMHIMSPG-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.90
Rot. Bonds4

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

N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide (PubChem CID 1244317) has the molecular formula C18H14FNO3 and a molecular weight of 311.31 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide
PubChem CID1244317
Molecular FormulaC18H14FNO3
Molecular Weight311.31 g/mol
Exact Mass311.10
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C18H14FNO3/c19-14-7-5-12(6-8-14)9-10-20-17(21)15-11-13-3-1-2-4-16(13)23-18(15)22/h1-8,11H,9-10H2,(H,20,21)
InChIKeyJZFLJPQMHIMSPG-UHFFFAOYSA-N
XLogP2.90
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-oxochromene-3-carboxamide
CID 51201859
N-[2-(4-fluorophenyl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 26795926
N-[2-(1-methylpyrrol-3-yl)ethyl]-2-oxochromene-3-carboxamide
CID 110795663
N-[2-(2-fluorophenoxy)ethyl]-2-oxochromene-3-carboxamide
CID 18113602
N-[2-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide
CID 110745473
2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]chromene-3-carboxamide
CID 56742375
3-(4-fluorophenyl)-N-[2-[(2-oxochromene-3-carbonyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083937
N-[(4-fluorophenyl)methyl]-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide
CID 1433068
2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]chromene-3-carboxamide
CID 49357043
2-oxo-N-pent-3-ynylchromene-3-carboxamide
CID 115977302
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-oxochromene-3-carboxamide
CID 90516061
[2-[2-[(2-oxochromene-3-carbonyl)amino]ethylcarbamoyl]phenyl] acetate
CID 6612133

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide (CID 1244317) is N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide is O=C(NCCc1ccc(F)cc1)c1cc2ccccc2oc1=O.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide?
The InChIKey is JZFLJPQMHIMSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3/c19-14-7-5-12(6-8-14)9-10-20-17(21)15-11-13-3-1-2-4-16(13)23-18(15)22/h1-8,11H,9-10H2,(H,20,21).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide has a molecular weight of 311.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 1244317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).