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

C19H15F2NO4 — CID 51201859

IUPACN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-oxochromene-3-carboxamide
SMILESO=C(NCCc1ccc(OC(F)F)cc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C19H15F2NO4/c20-19(21)25-14-7-5-12(6-8-14)9-10-22-17(23)15-11-13-3-1-2-4-16(13)26-18(15)24/h1-8,11,19H,9-10H2,(H,22,23)
InChIKeyYIIVJIBVWNQCTD-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.37
Rot. Bonds6

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

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-oxochromene-3-carboxamide (PubChem CID 51201859) has the molecular formula C19H15F2NO4 and a molecular weight of 359.33 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-oxochromene-3-carboxamide
PubChem CID51201859
Molecular FormulaC19H15F2NO4
Molecular Weight359.33 g/mol
Exact Mass359.10
IUPAC NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-oxochromene-3-carboxamide
SMILESO=C(NCCc1ccc(OC(F)F)cc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C19H15F2NO4/c20-19(21)25-14-7-5-12(6-8-14)9-10-22-17(23)15-11-13-3-1-2-4-16(13)26-18(15)24/h1-8,11,19H,9-10H2,(H,22,23)
InChIKeyYIIVJIBVWNQCTD-UHFFFAOYSA-N
XLogP3.37
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide
CID 1244317
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxynaphthalene-2-carboxamide
CID 18225243
N-[2-(1-methylpyrrol-3-yl)ethyl]-2-oxochromene-3-carboxamide
CID 110795663
N-[2-(furan-2-yl)ethyl]-2-oxochromene-3-carboxamide
CID 110745473
2-oxo-N-[2,2,2-trichloro-1-[2-(4-methoxyphenyl)ethylamino]ethyl]chromene-3-carboxamide
CID 18884970
2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]chromene-3-carboxamide
CID 56742375
N-[2-(2-fluorophenoxy)ethyl]-2-oxochromene-3-carboxamide
CID 18113602
2-oxo-N-[(4-propoxyphenyl)methyl]chromene-3-carboxamide
CID 110793766
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
[2-[2-[(2-oxochromene-3-carbonyl)amino]ethylcarbamoyl]phenyl] acetate
CID 6612133
N-[2-(2-hydroxypropylamino)ethyl]-2-oxochromene-3-carboxamide
CID 104593757

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-oxochromene-3-carboxamide (CID 51201859) is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-oxochromene-3-carboxamide is O=C(NCCc1ccc(OC(F)F)cc1)c1cc2ccccc2oc1=O.
What is the InChIKey of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-oxochromene-3-carboxamide?
The InChIKey is YIIVJIBVWNQCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO4/c20-19(21)25-14-7-5-12(6-8-14)9-10-22-17(23)15-11-13-3-1-2-4-16(13)26-18(15)24/h1-8,11,19H,9-10H2,(H,22,23).
What are the key properties of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-oxochromene-3-carboxamide?
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-oxochromene-3-carboxamide has a molecular weight of 359.33 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 51201859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).