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

C19H14Cl2N2O2 — CID 100828764

IUPAC(E)-N-(4-amino-2-chlorophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide
SMILESNc1ccc(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3)o2)c(Cl)c1
InChIInChI=1S/C19H14Cl2N2O2/c20-13-3-1-2-12(10-13)18-8-5-15(25-18)6-9-19(24)23-17-7-4-14(22)11-16(17)21/h1-11H,22H2,(H,23,24)/b9-6+
InChIKeyTXVHKOVDRIGVOD-RMKNXTFCSA-N
MW373.24 g/mol
LogP5.49
Rot. Bonds4

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

(E)-N-(4-amino-2-chlorophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide (PubChem CID 100828764) has the molecular formula C19H14Cl2N2O2 and a molecular weight of 373.24 g/mol. Its IUPAC name is (E)-N-(4-amino-2-chlorophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-amino-2-chlorophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide
PubChem CID100828764
Molecular FormulaC19H14Cl2N2O2
Molecular Weight373.24 g/mol
Exact Mass372.04
IUPAC Name(E)-N-(4-amino-2-chlorophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide
SMILESNc1ccc(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3)o2)c(Cl)c1
InChIInChI=1S/C19H14Cl2N2O2/c20-13-3-1-2-12(10-13)18-8-5-15(25-18)6-9-19(24)23-17-7-4-14(22)11-16(17)21/h1-11H,22H2,(H,23,24)/b9-6+
InChIKeyTXVHKOVDRIGVOD-RMKNXTFCSA-N
XLogP5.49
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.24
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(4-aminophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide
CID 100828761
(E)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-(2,4-dichlorophenyl)prop-2-enamide
CID 19631584
methyl 3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enoate
CID 69037771
(E)-N-(4-aminophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 100828816
(E)-N-(4-amino-2-bromophenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide
CID 100828747
(E)-N-(4-amino-2-bromophenyl)-3-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]prop-2-enamide
CID 100828804
(E)-N-(4-amino-2-bromophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide
CID 100828766
(E)-N-(4-amino-2-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 28867729
(E)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-(2,3-dichlorophenyl)prop-2-enamide
CID 6303145
(E)-N-(2-bromophenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 22780629
N-(2,5-dichlorophenyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 3673672
(E)-N-[2-chloro-4-(trifluoromethyl)phenyl]-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 17111307

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-amino-2-chlorophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-(4-amino-2-chlorophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide (CID 100828764) is (E)-N-(4-amino-2-chlorophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(4-amino-2-chlorophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(4-amino-2-chlorophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide is Nc1ccc(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3)o2)c(Cl)c1.
What is the InChIKey of (E)-N-(4-amino-2-chlorophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide?
The InChIKey is TXVHKOVDRIGVOD-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H14Cl2N2O2/c20-13-3-1-2-12(10-13)18-8-5-15(25-18)6-9-19(24)23-17-7-4-14(22)11-16(17)21/h1-11H,22H2,(H,23,24)/b9-6+.
What are the key properties of (E)-N-(4-amino-2-chlorophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide?
(E)-N-(4-amino-2-chlorophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide has a molecular weight of 373.24 g/mol, XLogP of 5.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-amino-2-chlorophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 100828764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).