(E)-N-(2-acetamido-5-chlorophenyl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enamide

C19H15ClF4N2O4 — CID 60605508

IUPAC(E)-N-(2-acetamido-5-chlorophenyl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enamide
SMILESCC(=O)Nc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(OC(F)F)cc1OC(F)F
InChIInChI=1S/C19H15ClF4N2O4/c1-10(27)25-14-6-4-12(20)8-15(14)26-17(28)7-3-11-2-5-13(29-18(21)22)9-16(11)30-19(23)24/h2-9,18-19H,1H3,(H,25,27)(H,26,28)/b7-3+
InChIKeyZFRYXORHUXMLEU-XVNBXDOJSA-N
MW446.78 g/mol
LogP5.15
Rot. Bonds8

About (E)-N-(2-acetamido-5-chlorophenyl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enamide

(E)-N-(2-acetamido-5-chlorophenyl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enamide (PubChem CID 60605508) has the molecular formula C19H15ClF4N2O4 and a molecular weight of 446.78 g/mol. Its IUPAC name is (E)-N-(2-acetamido-5-chlorophenyl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-acetamido-5-chlorophenyl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enamide
PubChem CID60605508
Molecular FormulaC19H15ClF4N2O4
Molecular Weight446.78 g/mol
Exact Mass446.07
IUPAC Name(E)-N-(2-acetamido-5-chlorophenyl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enamide
SMILESCC(=O)Nc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(OC(F)F)cc1OC(F)F
InChIInChI=1S/C19H15ClF4N2O4/c1-10(27)25-14-6-4-12(20)8-15(14)26-17(28)7-3-11-2-5-13(29-18(21)22)9-16(11)30-19(23)24/h2-9,18-19H,1H3,(H,25,27)(H,26,28)/b7-3+
InChIKeyZFRYXORHUXMLEU-XVNBXDOJSA-N
XLogP5.15
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.78
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-(4,5-dimethoxy-2-methylphenyl)prop-2-enamide
CID 30847487
(E)-N-(5-chloro-2-fluorophenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 8759050
(E)-N-(4-chloro-2-methylphenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 7914580
(E)-N-(4-chloro-2-fluorophenyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 2477751
4-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]benzamide
CID 8571908
2-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]propanamide
CID 134045681
(E)-N-(3-acetamido-4-fluorophenyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 55532975
(E)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 16597489
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide
CID 9480899
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]prop-2-enamide
CID 55766125
2-[[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]amino]-N-prop-2-enylbenzamide
CID 34745108
(E)-N-(4-chloro-2-methylphenyl)-3-[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]prop-2-enamide
CID 24580445

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-acetamido-5-chlorophenyl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(2-acetamido-5-chlorophenyl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enamide (CID 60605508) is (E)-N-(2-acetamido-5-chlorophenyl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-acetamido-5-chlorophenyl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-acetamido-5-chlorophenyl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enamide is CC(=O)Nc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(OC(F)F)cc1OC(F)F.
What is the InChIKey of (E)-N-(2-acetamido-5-chlorophenyl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enamide?
The InChIKey is ZFRYXORHUXMLEU-XVNBXDOJSA-N. The full InChI is InChI=1S/C19H15ClF4N2O4/c1-10(27)25-14-6-4-12(20)8-15(14)26-17(28)7-3-11-2-5-13(29-18(21)22)9-16(11)30-19(23)24/h2-9,18-19H,1H3,(H,25,27)(H,26,28)/b7-3+.
What are the key properties of (E)-N-(2-acetamido-5-chlorophenyl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enamide?
(E)-N-(2-acetamido-5-chlorophenyl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enamide has a molecular weight of 446.78 g/mol, XLogP of 5.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-acetamido-5-chlorophenyl)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 60605508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).