(E)-3-(2,4-dichlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoate

C14H8Cl2NO4- — CID 2203117

IUPAC(E)-3-(2,4-dichlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoate
SMILESO=C([O-])/C(=C\c1ccc(Cl)cc1Cl)NC(=O)c1ccco1
InChIInChI=1S/C14H9Cl2NO4/c15-9-4-3-8(10(16)7-9)6-11(14(19)20)17-13(18)12-2-1-5-21-12/h1-7H,(H,17,18)(H,19,20)/p-1/b11-6+
InChIKeyJDSQJPLENDCDFK-IZZDOVSWSA-M
MW325.13 g/mol
LogP2.11
Rot. Bonds4

About (E)-3-(2,4-dichlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoate

(E)-3-(2,4-dichlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoate (PubChem CID 2203117) has the molecular formula C14H8Cl2NO4- and a molecular weight of 325.13 g/mol. Its IUPAC name is (E)-3-(2,4-dichlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoate.

Molecular Properties

Compound Name(E)-3-(2,4-dichlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoate
PubChem CID2203117
Molecular FormulaC14H8Cl2NO4-
Molecular Weight325.13 g/mol
Exact Mass323.98
IUPAC Name(E)-3-(2,4-dichlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoate
SMILESO=C([O-])/C(=C\c1ccc(Cl)cc1Cl)NC(=O)c1ccco1
InChIInChI=1S/C14H9Cl2NO4/c15-9-4-3-8(10(16)7-9)6-11(14(19)20)17-13(18)12-2-1-5-21-12/h1-7H,(H,17,18)(H,19,20)/p-1/b11-6+
InChIKeyJDSQJPLENDCDFK-IZZDOVSWSA-M
XLogP2.11
TPSA82.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.13
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[(E)-3-(2-chlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]benzoate
CID 7454963
(E)-2-benzamido-3-(2,4-dichlorophenyl)prop-2-enoic acid
CID 6209843
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
N-[2-chloro-4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide
CID 1348018
N-[3-(3-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide
CID 2945780
N-[3-(4-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide
CID 4585499
(2,4-dichlorophenyl) furan-2-carboxylate
CID 3880755
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 135562319
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 136794136
N-[(1Z)-4,4-dicyano-1-(2,4-dichlorophenyl)-3-hydroxybuta-1,3-dien-2-yl]benzamide
CID 5477968
2,4-dichloro-N-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 5403893
N-[3-amino-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 2885104

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dichlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoate?
The IUPAC name of (E)-3-(2,4-dichlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoate (CID 2203117) is (E)-3-(2,4-dichlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoate.
What is the SMILES notation for (E)-3-(2,4-dichlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoate?
The canonical SMILES for (E)-3-(2,4-dichlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoate is O=C([O-])/C(=C\c1ccc(Cl)cc1Cl)NC(=O)c1ccco1.
What is the InChIKey of (E)-3-(2,4-dichlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoate?
The InChIKey is JDSQJPLENDCDFK-IZZDOVSWSA-M. The full InChI is InChI=1S/C14H9Cl2NO4/c15-9-4-3-8(10(16)7-9)6-11(14(19)20)17-13(18)12-2-1-5-21-12/h1-7H,(H,17,18)(H,19,20)/p-1/b11-6+.
What are the key properties of (E)-3-(2,4-dichlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoate?
(E)-3-(2,4-dichlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoate has a molecular weight of 325.13 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dichlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoate is sourced from PubChem (CID 2203117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).