(E)-3-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]prop-2-enoate

C17H12Cl2NO4- — CID 7140043

IUPAC(E)-3-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]prop-2-enoate
SMILESO=C([O-])/C=C/c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C17H13Cl2NO4/c18-12-7-13(19)9-14(8-12)20-16(21)10-24-15-4-1-11(2-5-15)3-6-17(22)23/h1-9H,10H2,(H,20,21)(H,22,23)/p-1/b6-3+
InChIKeyJBFHYWLZKDNIGV-ZZXKWVIFSA-M
MW365.19 g/mol
LogP2.77
Rot. Bonds6

About (E)-3-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]prop-2-enoate

(E)-3-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]prop-2-enoate (PubChem CID 7140043) has the molecular formula C17H12Cl2NO4- and a molecular weight of 365.19 g/mol. Its IUPAC name is (E)-3-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]prop-2-enoate.

Molecular Properties

Compound Name(E)-3-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]prop-2-enoate
PubChem CID7140043
Molecular FormulaC17H12Cl2NO4-
Molecular Weight365.19 g/mol
Exact Mass364.01
IUPAC Name(E)-3-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]prop-2-enoate
SMILESO=C([O-])/C=C/c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C17H13Cl2NO4/c18-12-7-13(19)9-14(8-12)20-16(21)10-24-15-4-1-11(2-5-15)3-6-17(22)23/h1-9H,10H2,(H,20,21)(H,22,23)/p-1/b6-3+
InChIKeyJBFHYWLZKDNIGV-ZZXKWVIFSA-M
XLogP2.77
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.19
LogP ≤ 52.77
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

N-(3,5-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide
CID 18870439
[2-(3,5-dichloroanilino)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 2414185
N-(3,5-dichlorophenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467602
N-(3,5-dichlorophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 7926056
N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 879851
methyl 2-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]acetate
CID 7695186
[2-(3,5-dichloroanilino)-2-oxoethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate
CID 1191670
[2-(3,5-dichloroanilino)-2-oxoethyl] 3-(4-propan-2-ylphenyl)prop-2-enoate
CID 5011992
2-(2,6-dichloro-4-formylphenoxy)-N-(3,5-dichlorophenyl)acetamide
CID 28913411
N'-[(Z)-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126268511
5-[2-(3,5-dichloroanilino)-2-oxoethoxy]benzene-1,3-dicarboxylic acid
CID 99989520
N-benzyl-N'-[[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 3488910

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]prop-2-enoate?
The IUPAC name of (E)-3-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]prop-2-enoate (CID 7140043) is (E)-3-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]prop-2-enoate.
What is the SMILES notation for (E)-3-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]prop-2-enoate?
The canonical SMILES for (E)-3-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]prop-2-enoate is O=C([O-])/C=C/c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of (E)-3-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]prop-2-enoate?
The InChIKey is JBFHYWLZKDNIGV-ZZXKWVIFSA-M. The full InChI is InChI=1S/C17H13Cl2NO4/c18-12-7-13(19)9-14(8-12)20-16(21)10-24-15-4-1-11(2-5-15)3-6-17(22)23/h1-9H,10H2,(H,20,21)(H,22,23)/p-1/b6-3+.
What are the key properties of (E)-3-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]prop-2-enoate?
(E)-3-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]prop-2-enoate has a molecular weight of 365.19 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]prop-2-enoate is sourced from PubChem (CID 7140043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).