(E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(2-ethylphenyl)prop-2-enamide

C21H18ClNO2 — CID 45051055

IUPAC(E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(2-ethylphenyl)prop-2-enamide
SMILESCCc1ccccc1NC(=O)/C=C/c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C21H18ClNO2/c1-2-15-7-3-6-10-19(15)23-21(24)14-12-16-11-13-20(25-16)17-8-4-5-9-18(17)22/h3-14H,2H2,1H3,(H,23,24)/b14-12+
InChIKeyVUGAVQSYKICBRW-WYMLVPIESA-N
MW351.83 g/mol
LogP5.81
Rot. Bonds5

About (E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(2-ethylphenyl)prop-2-enamide

(E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(2-ethylphenyl)prop-2-enamide (PubChem CID 45051055) has the molecular formula C21H18ClNO2 and a molecular weight of 351.83 g/mol. Its IUPAC name is (E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(2-ethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(2-ethylphenyl)prop-2-enamide
PubChem CID45051055
Molecular FormulaC21H18ClNO2
Molecular Weight351.83 g/mol
Exact Mass351.10
IUPAC Name(E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(2-ethylphenyl)prop-2-enamide
SMILESCCc1ccccc1NC(=O)/C=C/c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C21H18ClNO2/c1-2-15-7-3-6-10-19(15)23-21(24)14-12-16-11-13-20(25-16)17-8-4-5-9-18(17)22/h3-14H,2H2,1H3,(H,23,24)/b14-12+
InChIKeyVUGAVQSYKICBRW-WYMLVPIESA-N
XLogP5.81
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.83
LogP ≤ 55.81
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-butylphenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide
CID 45051020
3-[[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4-methylbenzoic acid
CID 28686356
(E)-N-(2-chlorophenyl)-3-(5-ethylfuran-2-yl)prop-2-enamide
CID 7710923
(E)-N-(4-amino-2-bromophenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide
CID 100828747
3-[[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4-methoxybenzoic acid
CID 28686358
N-(2,5-dichlorophenyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 3673672
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[(2-hydroxyphenyl)carbamothioyl]prop-2-enamide
CID 3996402
(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(2-methylquinolin-5-yl)prop-2-enamide
CID 17313821
(E)-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 17335729
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]prop-2-enamide
CID 4238974
2-[[(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]carbamothioylamino]benzoic acid
CID 17103608
N-(2-methylphenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide
CID 872614

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(2-ethylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(2-ethylphenyl)prop-2-enamide (CID 45051055) is (E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(2-ethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(2-ethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(2-ethylphenyl)prop-2-enamide is CCc1ccccc1NC(=O)/C=C/c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of (E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(2-ethylphenyl)prop-2-enamide?
The InChIKey is VUGAVQSYKICBRW-WYMLVPIESA-N. The full InChI is InChI=1S/C21H18ClNO2/c1-2-15-7-3-6-10-19(15)23-21(24)14-12-16-11-13-20(25-16)17-8-4-5-9-18(17)22/h3-14H,2H2,1H3,(H,23,24)/b14-12+.
What are the key properties of (E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(2-ethylphenyl)prop-2-enamide?
(E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(2-ethylphenyl)prop-2-enamide has a molecular weight of 351.83 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(2-ethylphenyl)prop-2-enamide is sourced from PubChem (CID 45051055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).