N-[4-[3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]benzamide

C26H18ClNO3 — CID 4736275

IUPACN-[4-[3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]benzamide
SMILESO=C(C=Cc1ccc(-c2cccc(Cl)c2)o1)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C26H18ClNO3/c27-21-8-4-7-20(17-21)25-16-14-23(31-25)13-15-24(29)18-9-11-22(12-10-18)28-26(30)19-5-2-1-3-6-19/h1-17H,(H,28,30)
InChIKeySGDKTSUZZQEWID-UHFFFAOYSA-N
MW427.89 g/mol
LogP6.75
Rot. Bonds6

About N-[4-[3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]benzamide

N-[4-[3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]benzamide (PubChem CID 4736275) has the molecular formula C26H18ClNO3 and a molecular weight of 427.89 g/mol. Its IUPAC name is N-[4-[3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]benzamide
PubChem CID4736275
Molecular FormulaC26H18ClNO3
Molecular Weight427.89 g/mol
Exact Mass427.10
IUPAC NameN-[4-[3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]benzamide
SMILESO=C(C=Cc1ccc(-c2cccc(Cl)c2)o1)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C26H18ClNO3/c27-21-8-4-7-20(17-21)25-16-14-23(31-25)13-15-24(29)18-9-11-22(12-10-18)28-26(30)19-5-2-1-3-6-19/h1-17H,(H,28,30)
InChIKeySGDKTSUZZQEWID-UHFFFAOYSA-N
XLogP6.75
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.89
LogP ≤ 56.75
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-(3,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one
CID 5349050
N-[3-[3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]phenyl]benzamide
CID 4736164
(E)-N-(4-aminophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide
CID 100828761
(Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one
CID 5342442
methyl 3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoate
CID 69037771
ethyl 4-[5-[3-(3-benzamidophenyl)-3-oxoprop-1-enyl]furan-2-yl]benzoate
CID 4736135
(E)-3-[5-(3-chlorophenyl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one
CID 5344040
N-[4-[3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide
CID 4736219
N-[3-[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]thiophene-2-carboxamide
CID 18830570
3-chloro-N-[4-[[(E)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enoyl]carbamothioylamino]phenyl]benzamide
CID 21169601
4-[[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid
CID 28686539
3-[5-[3-[hydroxy(oxido)amino]phenyl]furan-2-yl]-1-phenylprop-2-en-1-one
CID 163171437

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]benzamide?
The IUPAC name of N-[4-[3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]benzamide (CID 4736275) is N-[4-[3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]benzamide?
The canonical SMILES for N-[4-[3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]benzamide is O=C(C=Cc1ccc(-c2cccc(Cl)c2)o1)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]benzamide?
The InChIKey is SGDKTSUZZQEWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClNO3/c27-21-8-4-7-20(17-21)25-16-14-23(31-25)13-15-24(29)18-9-11-22(12-10-18)28-26(30)19-5-2-1-3-6-19/h1-17H,(H,28,30).
What are the key properties of N-[4-[3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]benzamide?
N-[4-[3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]benzamide has a molecular weight of 427.89 g/mol, XLogP of 6.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]benzamide is sourced from PubChem (CID 4736275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).