(E)-2-[(2,4-dichlorobenzoyl)amino]-3-(2-fluorophenyl)prop-2-enoate

C16H9Cl2FNO3- — CID 7137651

IUPAC(E)-2-[(2,4-dichlorobenzoyl)amino]-3-(2-fluorophenyl)prop-2-enoate
SMILESO=C([O-])/C(=C\c1ccccc1F)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H10Cl2FNO3/c17-10-5-6-11(12(18)8-10)15(21)20-14(16(22)23)7-9-3-1-2-4-13(9)19/h1-8H,(H,20,21)(H,22,23)/p-1/b14-7+
InChIKeyUTBLMKKXYMTTJG-VGOFMYFVSA-M
MW353.16 g/mol
LogP2.65
Rot. Bonds4

About (E)-2-[(2,4-dichlorobenzoyl)amino]-3-(2-fluorophenyl)prop-2-enoate

(E)-2-[(2,4-dichlorobenzoyl)amino]-3-(2-fluorophenyl)prop-2-enoate (PubChem CID 7137651) has the molecular formula C16H9Cl2FNO3- and a molecular weight of 353.16 g/mol. Its IUPAC name is (E)-2-[(2,4-dichlorobenzoyl)amino]-3-(2-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Name(E)-2-[(2,4-dichlorobenzoyl)amino]-3-(2-fluorophenyl)prop-2-enoate
PubChem CID7137651
Molecular FormulaC16H9Cl2FNO3-
Molecular Weight353.16 g/mol
Exact Mass351.99
IUPAC Name(E)-2-[(2,4-dichlorobenzoyl)amino]-3-(2-fluorophenyl)prop-2-enoate
SMILESO=C([O-])/C(=C\c1ccccc1F)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H10Cl2FNO3/c17-10-5-6-11(12(18)8-10)15(21)20-14(16(22)23)7-9-3-1-2-4-13(9)19/h1-8H,(H,20,21)(H,22,23)/p-1/b14-7+
InChIKeyUTBLMKKXYMTTJG-VGOFMYFVSA-M
XLogP2.65
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.16
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[p-Chlorobenzamido]-crotonic acid
CID 5372474
2-(2-Chloro-benzoylamino)-but-2-enoic acid
CID 44267549
(Z)-2-[(2,6-dichlorobenzoyl)amino]but-2-enoic acid
CID 44267547
Benzamide, N-[1-aminocarbonyl-2-(4-chlorophenyl)ethenyl]-
CID 5369556
3,3-Dichloro-2-[(4-chlorobenzoyl)amino]prop-2-enoic acid
CID 843328
2,4-dichloro-N-[(1Z)-3-oxo-1-phenyl-3-(prop-2-en-1-ylamino)prop-1-en-2-yl]benzamide
CID 1614737
(E)-2-(2,4-dichlorobenzamido)-3-phenylacrylic acid
CID 877634
(Z)-2-Benzamido-3-(4-chlorophenyl)acrylic acid
CID 5401714
(2E)-2-[(2,4-Dichlorophenyl)formamido]-N-methyl-3-phenylprop-2-enamide
CID 6244670
Z-2-(benzoylamino)-3-(2'-chloro-6-fluoro-1,1'-biphenyl-3-yl)prop-2-enoic acid
CID 10340676
(E)-2-benzamido-3-[3-(2-chlorophenyl)-4-fluorophenyl]prop-2-enoic acid
CID 22148111
(E)-2-benzamido-3-[5-(2-chlorophenyl)-2-fluorophenyl]prop-2-enoic acid
CID 22148452

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(2,4-dichlorobenzoyl)amino]-3-(2-fluorophenyl)prop-2-enoate?
The IUPAC name of (E)-2-[(2,4-dichlorobenzoyl)amino]-3-(2-fluorophenyl)prop-2-enoate (CID 7137651) is (E)-2-[(2,4-dichlorobenzoyl)amino]-3-(2-fluorophenyl)prop-2-enoate.
What is the SMILES notation for (E)-2-[(2,4-dichlorobenzoyl)amino]-3-(2-fluorophenyl)prop-2-enoate?
The canonical SMILES for (E)-2-[(2,4-dichlorobenzoyl)amino]-3-(2-fluorophenyl)prop-2-enoate is O=C([O-])/C(=C\c1ccccc1F)NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (E)-2-[(2,4-dichlorobenzoyl)amino]-3-(2-fluorophenyl)prop-2-enoate?
The InChIKey is UTBLMKKXYMTTJG-VGOFMYFVSA-M. The full InChI is InChI=1S/C16H10Cl2FNO3/c17-10-5-6-11(12(18)8-10)15(21)20-14(16(22)23)7-9-3-1-2-4-13(9)19/h1-8H,(H,20,21)(H,22,23)/p-1/b14-7+.
What are the key properties of (E)-2-[(2,4-dichlorobenzoyl)amino]-3-(2-fluorophenyl)prop-2-enoate?
(E)-2-[(2,4-dichlorobenzoyl)amino]-3-(2-fluorophenyl)prop-2-enoate has a molecular weight of 353.16 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(2,4-dichlorobenzoyl)amino]-3-(2-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 7137651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).