N-(4-bromo-3-chlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide

C14H11BrClNO2 — CID 923476

IUPACN-(4-bromo-3-chlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)Nc2ccc(Br)c(Cl)c2)o1
InChIInChI=1S/C14H11BrClNO2/c1-9-2-4-11(19-9)5-7-14(18)17-10-3-6-12(15)13(16)8-10/h2-8H,1H3,(H,17,18)
InChIKeyNMKFGYTZZMFQKJ-UHFFFAOYSA-N
MW340.60 g/mol
LogP4.66
Rot. Bonds3

About N-(4-bromo-3-chlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide

N-(4-bromo-3-chlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 923476) has the molecular formula C14H11BrClNO2 and a molecular weight of 340.60 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID923476
Molecular FormulaC14H11BrClNO2
Molecular Weight340.60 g/mol
Exact Mass338.97
IUPAC NameN-(4-bromo-3-chlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)Nc2ccc(Br)c(Cl)c2)o1
InChIInChI=1S/C14H11BrClNO2/c1-9-2-4-11(19-9)5-7-14(18)17-10-3-6-12(15)13(16)8-10/h2-8H,1H3,(H,17,18)
InChIKeyNMKFGYTZZMFQKJ-UHFFFAOYSA-N
XLogP4.66
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.60
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 896719
(E)-N-(3,5-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923459
(E)-3-(5-methylfuran-2-yl)-N-naphthalen-2-ylprop-2-enamide
CID 2146457
(E)-N-(3-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 78783838
N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712902
3-(5-methylfuran-2-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 712925
2-fluoro-4-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]benzoic acid
CID 103791438
(E)-3-(5-methylfuran-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]prop-2-enamide
CID 24632271
(E)-N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 21371931
(E)-N-(2-bromo-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 47249112
(E)-3-(5-methylfuran-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide
CID 2665588
3-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875057

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide (CID 923476) is N-(4-bromo-3-chlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(C=CC(=O)Nc2ccc(Br)c(Cl)c2)o1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is NMKFGYTZZMFQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO2/c1-9-2-4-11(19-9)5-7-14(18)17-10-3-6-12(15)13(16)8-10/h2-8H,1H3,(H,17,18).
What are the key properties of N-(4-bromo-3-chlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
N-(4-bromo-3-chlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 340.60 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 923476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).