3-[5-(4-chlorophenyl)furan-2-yl]-N-(2,4,6-trimethylphenyl)prop-2-enamide

C22H20ClNO2 — CID 3988299

IUPAC3-[5-(4-chlorophenyl)furan-2-yl]-N-(2,4,6-trimethylphenyl)prop-2-enamide
SMILESCc1cc(C)c(NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)c(C)c1
InChIInChI=1S/C22H20ClNO2/c1-14-12-15(2)22(16(3)13-14)24-21(25)11-9-19-8-10-20(26-19)17-4-6-18(23)7-5-17/h4-13H,1-3H3,(H,24,25)
InChIKeyIRFKYZHQXKSLNT-UHFFFAOYSA-N
MW365.86 g/mol
LogP6.18
Rot. Bonds4

About 3-[5-(4-chlorophenyl)furan-2-yl]-N-(2,4,6-trimethylphenyl)prop-2-enamide

3-[5-(4-chlorophenyl)furan-2-yl]-N-(2,4,6-trimethylphenyl)prop-2-enamide (PubChem CID 3988299) has the molecular formula C22H20ClNO2 and a molecular weight of 365.86 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)furan-2-yl]-N-(2,4,6-trimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)furan-2-yl]-N-(2,4,6-trimethylphenyl)prop-2-enamide
PubChem CID3988299
Molecular FormulaC22H20ClNO2
Molecular Weight365.86 g/mol
Exact Mass365.12
IUPAC Name3-[5-(4-chlorophenyl)furan-2-yl]-N-(2,4,6-trimethylphenyl)prop-2-enamide
SMILESCc1cc(C)c(NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)c(C)c1
InChIInChI=1S/C22H20ClNO2/c1-14-12-15(2)22(16(3)13-14)24-21(25)11-9-19-8-10-20(26-19)17-4-6-18(23)7-5-17/h4-13H,1-3H3,(H,24,25)
InChIKeyIRFKYZHQXKSLNT-UHFFFAOYSA-N
XLogP6.18
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.86
LogP ≤ 56.18
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

(E)-N-(4-bromo-2,6-dimethylphenyl)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enamide
CID 22781754
N-[(5-chloro-2-methylphenyl)carbamothioyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide
CID 4008388
3-[5-(4-chlorophenyl)furan-2-yl]-N-[(2-methylphenyl)carbamothioyl]prop-2-enamide
CID 3882176
(E)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-(2,4-dichlorophenyl)prop-2-enamide
CID 19631584
(E)-N-[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide
CID 17117219
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-N-(5-iodo-2-pyridinyl)prop-2-enamide
CID 17110766
3-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-(2-fluorophenyl)prop-2-enamide
CID 3913972
N-[(4-chloro-2,5-dimethoxyphenyl)carbamothioyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide
CID 5213145
N-[4-[[(E)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 17117642
3-[5-(4-chlorophenyl)furan-2-yl]-N-(2-methoxy-5-nitrophenyl)prop-2-enamide
CID 3530863
(E)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-[(2-hydroxy-3,5-dimethylphenyl)carbamothioyl]prop-2-enamide
CID 22781314
N-[(2-chloro-4-iodophenyl)carbamothioyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide
CID 3426666

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)furan-2-yl]-N-(2,4,6-trimethylphenyl)prop-2-enamide?
The IUPAC name of 3-[5-(4-chlorophenyl)furan-2-yl]-N-(2,4,6-trimethylphenyl)prop-2-enamide (CID 3988299) is 3-[5-(4-chlorophenyl)furan-2-yl]-N-(2,4,6-trimethylphenyl)prop-2-enamide.
What is the SMILES notation for 3-[5-(4-chlorophenyl)furan-2-yl]-N-(2,4,6-trimethylphenyl)prop-2-enamide?
The canonical SMILES for 3-[5-(4-chlorophenyl)furan-2-yl]-N-(2,4,6-trimethylphenyl)prop-2-enamide is Cc1cc(C)c(NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)c(C)c1.
What is the InChIKey of 3-[5-(4-chlorophenyl)furan-2-yl]-N-(2,4,6-trimethylphenyl)prop-2-enamide?
The InChIKey is IRFKYZHQXKSLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO2/c1-14-12-15(2)22(16(3)13-14)24-21(25)11-9-19-8-10-20(26-19)17-4-6-18(23)7-5-17/h4-13H,1-3H3,(H,24,25).
What are the key properties of 3-[5-(4-chlorophenyl)furan-2-yl]-N-(2,4,6-trimethylphenyl)prop-2-enamide?
3-[5-(4-chlorophenyl)furan-2-yl]-N-(2,4,6-trimethylphenyl)prop-2-enamide has a molecular weight of 365.86 g/mol, XLogP of 6.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)furan-2-yl]-N-(2,4,6-trimethylphenyl)prop-2-enamide is sourced from PubChem (CID 3988299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).