(E)-N-(4-butylphenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide

C23H22ClNO2 — CID 45051020

IUPAC(E)-N-(4-butylphenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide
SMILESCCCCc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)cc1
InChIInChI=1S/C23H22ClNO2/c1-2-3-6-17-9-11-18(12-10-17)25-23(26)16-14-19-13-15-22(27-19)20-7-4-5-8-21(20)24/h4-5,7-16H,2-3,6H2,1H3,(H,25,26)/b16-14+
InChIKeyCBUFOWKHGMNFJN-JQIJEIRASA-N
MW379.89 g/mol
LogP6.59
Rot. Bonds7

About (E)-N-(4-butylphenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide

(E)-N-(4-butylphenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide (PubChem CID 45051020) has the molecular formula C23H22ClNO2 and a molecular weight of 379.89 g/mol. Its IUPAC name is (E)-N-(4-butylphenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-butylphenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide
PubChem CID45051020
Molecular FormulaC23H22ClNO2
Molecular Weight379.89 g/mol
Exact Mass379.13
IUPAC Name(E)-N-(4-butylphenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide
SMILESCCCCc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)cc1
InChIInChI=1S/C23H22ClNO2/c1-2-3-6-17-9-11-18(12-10-17)25-23(26)16-14-19-13-15-22(27-19)20-7-4-5-8-21(20)24/h4-5,7-16H,2-3,6H2,1H3,(H,25,26)/b16-14+
InChIKeyCBUFOWKHGMNFJN-JQIJEIRASA-N
XLogP6.59
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.89
LogP ≤ 56.59
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)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(2-ethylphenyl)prop-2-enamide
CID 45051055
N-(4-butylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 4090425
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-naphthalen-2-ylprop-2-enamide
CID 4528607
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-[5-(3-chloro-2-methylphenyl)furan-2-yl]prop-2-enamide
CID 4909606
(E)-N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-[5-(3-chloro-2-methylphenyl)furan-2-yl]prop-2-enamide
CID 6228555
N-[4-[[(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 17319117
N-[4-[3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoylcarbamothioylamino]phenyl]butanamide
CID 5202888
3-[[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4-methylbenzoic acid
CID 28686356
(E)-N-(4-amino-2-bromophenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide
CID 100828747
(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 17111488
3-[[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4-methoxybenzoic acid
CID 28686358
N-[(4-tert-butylphenyl)carbamothioyl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 4264015

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-butylphenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-(4-butylphenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide (CID 45051020) is (E)-N-(4-butylphenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(4-butylphenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(4-butylphenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide is CCCCc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)cc1.
What is the InChIKey of (E)-N-(4-butylphenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide?
The InChIKey is CBUFOWKHGMNFJN-JQIJEIRASA-N. The full InChI is InChI=1S/C23H22ClNO2/c1-2-3-6-17-9-11-18(12-10-17)25-23(26)16-14-19-13-15-22(27-19)20-7-4-5-8-21(20)24/h4-5,7-16H,2-3,6H2,1H3,(H,25,26)/b16-14+.
What are the key properties of (E)-N-(4-butylphenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide?
(E)-N-(4-butylphenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide has a molecular weight of 379.89 g/mol, XLogP of 6.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-butylphenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 45051020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).