2-[(2,4-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)prop-2-enoic acid

C16H11Cl2NO4 — CID 3855637

IUPAC2-[(2,4-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)prop-2-enoic acid
SMILESO=C(O)C(=Cc1ccc(O)cc1)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl2NO4/c17-10-3-6-12(13(18)8-10)15(21)19-14(16(22)23)7-9-1-4-11(20)5-2-9/h1-8,20H,(H,19,21)(H,22,23)
InChIKeyIOSHNKLUYQFSGX-UHFFFAOYSA-N
MW352.17 g/mol
LogP3.55
Rot. Bonds4

About 2-[(2,4-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)prop-2-enoic acid

2-[(2,4-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)prop-2-enoic acid (PubChem CID 3855637) has the molecular formula C16H11Cl2NO4 and a molecular weight of 352.17 g/mol. Its IUPAC name is 2-[(2,4-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-[(2,4-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)prop-2-enoic acid
PubChem CID3855637
Molecular FormulaC16H11Cl2NO4
Molecular Weight352.17 g/mol
Exact Mass351.01
IUPAC Name2-[(2,4-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)prop-2-enoic acid
SMILESO=C(O)C(=Cc1ccc(O)cc1)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl2NO4/c17-10-3-6-12(13(18)8-10)15(21)19-14(16(22)23)7-9-1-4-11(20)5-2-9/h1-8,20H,(H,19,21)(H,22,23)
InChIKeyIOSHNKLUYQFSGX-UHFFFAOYSA-N
XLogP3.55
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.17
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[(Z)-1-(4-chlorophenyl)-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 27396130
(E)-2-[(2,4-dichlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]prop-2-enoate
CID 6985024
2,4-dichloro-N-[(Z)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
CID 20834599
2-[(2-chlorobenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoic acid
CID 2878599
(E)-2-benzamido-3-(2,4-dichlorophenyl)prop-2-enoic acid
CID 6209843
(E)-2-[(4-chlorobenzoyl)amino]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 7137602
2,4-dichloro-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 74638609
(Z)-2-(5-chloro-2-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enoic acid
CID 83950746
(2,4-dichlorophenyl)-(4-hydroxyphenyl)methanone
CID 13453357
(E)-3-[4-(2-bromophenoxy)phenyl]-2-[(2-chlorobenzoyl)amino]prop-2-enoic acid
CID 22148447
2,4-dichloro-N-[(E)-1-(furan-2-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 5403893
(E)-2-[(2-chlorobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoic acid
CID 6153397

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)prop-2-enoic acid?
The IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)prop-2-enoic acid (CID 3855637) is 2-[(2,4-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)prop-2-enoic acid.
What is the SMILES notation for 2-[(2,4-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)prop-2-enoic acid?
The canonical SMILES for 2-[(2,4-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)prop-2-enoic acid is O=C(O)C(=Cc1ccc(O)cc1)NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)prop-2-enoic acid?
The InChIKey is IOSHNKLUYQFSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO4/c17-10-3-6-12(13(18)8-10)15(21)19-14(16(22)23)7-9-1-4-11(20)5-2-9/h1-8,20H,(H,19,21)(H,22,23).
What are the key properties of 2-[(2,4-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)prop-2-enoic acid?
2-[(2,4-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)prop-2-enoic acid has a molecular weight of 352.17 g/mol, XLogP of 3.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 3855637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).