(E)-3-[4-(difluoromethoxy)phenyl]-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide

C20H15F2NO4 — CID 26211838

IUPAC(E)-3-[4-(difluoromethoxy)phenyl]-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide
SMILESCc1cc(=O)oc2cc(NC(=O)/C=C/c3ccc(OC(F)F)cc3)ccc12
InChIInChI=1S/C20H15F2NO4/c1-12-10-19(25)27-17-11-14(5-8-16(12)17)23-18(24)9-4-13-2-6-15(7-3-13)26-20(21)22/h2-11,20H,1H3,(H,23,24)/b9-4+
InChIKeyPVYIURALVZUHIH-RUDMXATFSA-N
MW371.34 g/mol
LogP4.35
Rot. Bonds5

About (E)-3-[4-(difluoromethoxy)phenyl]-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide

(E)-3-[4-(difluoromethoxy)phenyl]-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide (PubChem CID 26211838) has the molecular formula C20H15F2NO4 and a molecular weight of 371.34 g/mol. Its IUPAC name is (E)-3-[4-(difluoromethoxy)phenyl]-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(difluoromethoxy)phenyl]-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide
PubChem CID26211838
Molecular FormulaC20H15F2NO4
Molecular Weight371.34 g/mol
Exact Mass371.10
IUPAC Name(E)-3-[4-(difluoromethoxy)phenyl]-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide
SMILESCc1cc(=O)oc2cc(NC(=O)/C=C/c3ccc(OC(F)F)cc3)ccc12
InChIInChI=1S/C20H15F2NO4/c1-12-10-19(25)27-17-11-14(5-8-16(12)17)23-18(24)9-4-13-2-6-15(7-3-13)26-20(21)22/h2-11,20H,1H3,(H,23,24)/b9-4+
InChIKeyPVYIURALVZUHIH-RUDMXATFSA-N
XLogP4.35
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-ethylphenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide
CID 18272991
(E)-3-[4-(difluoromethoxy)phenyl]-N-(3-methoxyphenyl)prop-2-enamide
CID 2654528
(E)-N-(4-chloro-2-methylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 7914580
(E)-3-[4-(difluoromethoxy)phenyl]-N-(2,6-dimethylphenyl)prop-2-enamide
CID 8502468
N-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide
CID 16551217
(E)-N-(4-methyl-2-oxochromen-7-yl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 16594577
(E)-3-[4-(difluoromethoxy)phenyl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)prop-2-enamide
CID 51153400
(2S)-N-(4-methyl-2-oxochromen-7-yl)-2-(4-nitrophenoxy)propanamide
CID 94332276
(E)-3-(3-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 7941296
(E)-N-(5-chloro-2-fluorophenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 8759050
(E)-3-(4-chlorophenyl)-N-[3-(difluoromethoxy)phenyl]prop-2-enamide
CID 2318357
N-(2-chloro-4-methylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 3916124

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(difluoromethoxy)phenyl]-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide?
The IUPAC name of (E)-3-[4-(difluoromethoxy)phenyl]-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide (CID 26211838) is (E)-3-[4-(difluoromethoxy)phenyl]-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(difluoromethoxy)phenyl]-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide?
The canonical SMILES for (E)-3-[4-(difluoromethoxy)phenyl]-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide is Cc1cc(=O)oc2cc(NC(=O)/C=C/c3ccc(OC(F)F)cc3)ccc12.
What is the InChIKey of (E)-3-[4-(difluoromethoxy)phenyl]-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide?
The InChIKey is PVYIURALVZUHIH-RUDMXATFSA-N. The full InChI is InChI=1S/C20H15F2NO4/c1-12-10-19(25)27-17-11-14(5-8-16(12)17)23-18(24)9-4-13-2-6-15(7-3-13)26-20(21)22/h2-11,20H,1H3,(H,23,24)/b9-4+.
What are the key properties of (E)-3-[4-(difluoromethoxy)phenyl]-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide?
(E)-3-[4-(difluoromethoxy)phenyl]-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide has a molecular weight of 371.34 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(difluoromethoxy)phenyl]-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide is sourced from PubChem (CID 26211838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).