N-(2,5-dichlorophenyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide

C19H11Cl4NO2 — CID 3673672

IUPACN-(2,5-dichlorophenyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
SMILESO=C(C=Cc1ccc(-c2cccc(Cl)c2Cl)o1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C19H11Cl4NO2/c20-11-4-7-14(21)16(10-11)24-18(25)9-6-12-5-8-17(26-12)13-2-1-3-15(22)19(13)23/h1-10H,(H,24,25)
InChIKeySZDLQQRCIFKGOU-UHFFFAOYSA-N
MW427.11 g/mol
LogP7.21
Rot. Bonds4

About N-(2,5-dichlorophenyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide

N-(2,5-dichlorophenyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide (PubChem CID 3673672) has the molecular formula C19H11Cl4NO2 and a molecular weight of 427.11 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
PubChem CID3673672
Molecular FormulaC19H11Cl4NO2
Molecular Weight427.11 g/mol
Exact Mass424.95
IUPAC NameN-(2,5-dichlorophenyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
SMILESO=C(C=Cc1ccc(-c2cccc(Cl)c2Cl)o1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C19H11Cl4NO2/c20-11-4-7-14(21)16(10-11)24-18(25)9-6-12-5-8-17(26-12)13-2-1-3-15(22)19(13)23/h1-10H,(H,24,25)
InChIKeySZDLQQRCIFKGOU-UHFFFAOYSA-N
XLogP7.21
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.11
LogP ≤ 57.21
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-(2,5-dichlorophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamide
CID 1244901
(E)-N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 43913588
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-naphthalen-2-ylprop-2-enamide
CID 4528607
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-pyridin-3-ylprop-2-enamide
CID 3996225
(E)-N-carbamothioyl-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 132591100
(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(2-methylquinolin-5-yl)prop-2-enamide
CID 17313821
(Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 94034259
N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 3673268
(E)-N-[(2,3-dichlorophenyl)carbamothioyl]-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 17113915
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 3510241
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-(4-methoxy-3,5-dinitrophenyl)prop-2-enamide
CID 17050535

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide (CID 3673672) is N-(2,5-dichlorophenyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide is O=C(C=Cc1ccc(-c2cccc(Cl)c2Cl)o1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide?
The InChIKey is SZDLQQRCIFKGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl4NO2/c20-11-4-7-14(21)16(10-11)24-18(25)9-6-12-5-8-17(26-12)13-2-1-3-15(22)19(13)23/h1-10H,(H,24,25).
What are the key properties of N-(2,5-dichlorophenyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide?
N-(2,5-dichlorophenyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide has a molecular weight of 427.11 g/mol, XLogP of 7.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 3673672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).