(2-benzamido-2-oxoethyl) (E)-3-(2,4-dichlorophenyl)prop-2-enoate

C18H13Cl2NO4 — CID 7867816

IUPAC(2-benzamido-2-oxoethyl) (E)-3-(2,4-dichlorophenyl)prop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccc(Cl)cc1Cl)NC(=O)c1ccccc1
InChIInChI=1S/C18H13Cl2NO4/c19-14-8-6-12(15(20)10-14)7-9-17(23)25-11-16(22)21-18(24)13-4-2-1-3-5-13/h1-10H,11H2,(H,21,22,24)/b9-7+
InChIKeyDOGRNZCRQBVFQW-VQHVLOKHSA-N
MW378.21 g/mol
LogP3.51
Rot. Bonds5

About (2-benzamido-2-oxoethyl) (E)-3-(2,4-dichlorophenyl)prop-2-enoate

(2-benzamido-2-oxoethyl) (E)-3-(2,4-dichlorophenyl)prop-2-enoate (PubChem CID 7867816) has the molecular formula C18H13Cl2NO4 and a molecular weight of 378.21 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) (E)-3-(2,4-dichlorophenyl)prop-2-enoate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) (E)-3-(2,4-dichlorophenyl)prop-2-enoate
PubChem CID7867816
Molecular FormulaC18H13Cl2NO4
Molecular Weight378.21 g/mol
Exact Mass377.02
IUPAC Name(2-benzamido-2-oxoethyl) (E)-3-(2,4-dichlorophenyl)prop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccc(Cl)cc1Cl)NC(=O)c1ccccc1
InChIInChI=1S/C18H13Cl2NO4/c19-14-8-6-12(15(20)10-14)7-9-17(23)25-11-16(22)21-18(24)13-4-2-1-3-5-13/h1-10H,11H2,(H,21,22,24)/b9-7+
InChIKeyDOGRNZCRQBVFQW-VQHVLOKHSA-N
XLogP3.51
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.21
LogP ≤ 53.51
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

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(2,4-dichlorophenyl)prop-2-enoate
CID 3878959
[2-(4-chloroanilino)-2-oxoethyl] 3-(2,4-dichlorophenyl)prop-2-enoate
CID 3493872
(2-benzamido-2-oxoethyl) (E)-3-(2-methylphenyl)prop-2-enoate
CID 7849819
[2-(butylcarbamoylamino)-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 26749574
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-(2,4-dichlorophenyl)prop-2-enoate
CID 4126741
[2-(4-acetamidoanilino)-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 7867860
[2-(2-methylpropylamino)-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 2515883
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 7873938
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] (E)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 2515900
(2-benzamido-2-oxoethyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 42969620
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(2,4-dichlorophenyl)prop-2-enoate
CID 3423307
(2-benzamido-2-oxoethyl) (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
CID 42984269

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) (E)-3-(2,4-dichlorophenyl)prop-2-enoate?
The IUPAC name of (2-benzamido-2-oxoethyl) (E)-3-(2,4-dichlorophenyl)prop-2-enoate (CID 7867816) is (2-benzamido-2-oxoethyl) (E)-3-(2,4-dichlorophenyl)prop-2-enoate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) (E)-3-(2,4-dichlorophenyl)prop-2-enoate?
The canonical SMILES for (2-benzamido-2-oxoethyl) (E)-3-(2,4-dichlorophenyl)prop-2-enoate is O=C(COC(=O)/C=C/c1ccc(Cl)cc1Cl)NC(=O)c1ccccc1.
What is the InChIKey of (2-benzamido-2-oxoethyl) (E)-3-(2,4-dichlorophenyl)prop-2-enoate?
The InChIKey is DOGRNZCRQBVFQW-VQHVLOKHSA-N. The full InChI is InChI=1S/C18H13Cl2NO4/c19-14-8-6-12(15(20)10-14)7-9-17(23)25-11-16(22)21-18(24)13-4-2-1-3-5-13/h1-10H,11H2,(H,21,22,24)/b9-7+.
What are the key properties of (2-benzamido-2-oxoethyl) (E)-3-(2,4-dichlorophenyl)prop-2-enoate?
(2-benzamido-2-oxoethyl) (E)-3-(2,4-dichlorophenyl)prop-2-enoate has a molecular weight of 378.21 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) (E)-3-(2,4-dichlorophenyl)prop-2-enoate is sourced from PubChem (CID 7867816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).