N-(5-bromo-6-methyl-2-pyridinyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide

C19H13BrCl2N2O2 — CID 3632284

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
SMILESCc1nc(NC(=O)C=Cc2ccc(-c3cccc(Cl)c3Cl)o2)ccc1Br
InChIInChI=1S/C19H13BrCl2N2O2/c1-11-14(20)7-9-17(23-11)24-18(25)10-6-12-5-8-16(26-12)13-3-2-4-15(21)19(13)22/h2-10H,1H3,(H,23,24,25)
InChIKeyKJDLSCDRZXXANO-UHFFFAOYSA-N
MW452.14 g/mol
LogP6.37
Rot. Bonds4

About N-(5-bromo-6-methyl-2-pyridinyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide

N-(5-bromo-6-methyl-2-pyridinyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide (PubChem CID 3632284) has the molecular formula C19H13BrCl2N2O2 and a molecular weight of 452.14 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
PubChem CID3632284
Molecular FormulaC19H13BrCl2N2O2
Molecular Weight452.14 g/mol
Exact Mass449.95
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
SMILESCc1nc(NC(=O)C=Cc2ccc(-c3cccc(Cl)c3Cl)o2)ccc1Br
InChIInChI=1S/C19H13BrCl2N2O2/c1-11-14(20)7-9-17(23-11)24-18(25)10-6-12-5-8-16(26-12)13-3-2-4-15(21)19(13)22/h2-10H,1H3,(H,23,24,25)
InChIKeyKJDLSCDRZXXANO-UHFFFAOYSA-N
XLogP6.37
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.14
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(2-methylquinolin-5-yl)prop-2-enamide
CID 17313821
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-naphthalen-2-ylprop-2-enamide
CID 4528607
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-pyridin-3-ylprop-2-enamide
CID 3996225
N-(2,5-dichlorophenyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 3673672
(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]prop-2-enamide
CID 17103606
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]prop-2-enamide
CID 4025058
(E)-N-carbamothioyl-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 132591100
(Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 94034259
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]prop-2-enamide
CID 3927854
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]prop-2-enamide
CID 5124951
(E)-N-(5-bromo-6-methyl-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
CID 6134268
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 3510241

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide (CID 3632284) is N-(5-bromo-6-methyl-2-pyridinyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide is Cc1nc(NC(=O)C=Cc2ccc(-c3cccc(Cl)c3Cl)o2)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide?
The InChIKey is KJDLSCDRZXXANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrCl2N2O2/c1-11-14(20)7-9-17(23-11)24-18(25)10-6-12-5-8-16(26-12)13-3-2-4-15(21)19(13)22/h2-10H,1H3,(H,23,24,25).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide?
N-(5-bromo-6-methyl-2-pyridinyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide has a molecular weight of 452.14 g/mol, XLogP of 6.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 3632284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).