(Z)-4-(5-chloro-2-hydroxyanilino)-4-oxobut-2-enoic acid

C10H8ClNO4 — CID 18877712

IUPAC(Z)-4-(5-chloro-2-hydroxyanilino)-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C\C(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C10H8ClNO4/c11-6-1-2-8(13)7(5-6)12-9(14)3-4-10(15)16/h1-5,13H,(H,12,14)(H,15,16)/b4-3-
InChIKeyBUSNWOXTYXOIGD-ARJAWSKDSA-N
MW241.63 g/mol
LogP1.62
Rot. Bonds3

About (Z)-4-(5-chloro-2-hydroxyanilino)-4-oxobut-2-enoic acid

(Z)-4-(5-chloro-2-hydroxyanilino)-4-oxobut-2-enoic acid (PubChem CID 18877712) has the molecular formula C10H8ClNO4 and a molecular weight of 241.63 g/mol. Its IUPAC name is (Z)-4-(5-chloro-2-hydroxyanilino)-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-(5-chloro-2-hydroxyanilino)-4-oxobut-2-enoic acid
PubChem CID18877712
Molecular FormulaC10H8ClNO4
Molecular Weight241.63 g/mol
Exact Mass241.01
IUPAC Name(Z)-4-(5-chloro-2-hydroxyanilino)-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C\C(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C10H8ClNO4/c11-6-1-2-8(13)7(5-6)12-9(14)3-4-10(15)16/h1-5,13H,(H,12,14)(H,15,16)/b4-3-
InChIKeyBUSNWOXTYXOIGD-ARJAWSKDSA-N
XLogP1.62
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.63
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-4-(5-chloro-2-hydroxyanilino)-4-oxobut-2-enoate
CID 6241799
(E)-4-(5-chloro-2-methylanilino)-4-oxobut-2-enoic acid
CID 710513
(Z)-4-(5-tert-butyl-2-hydroxyanilino)-4-oxobut-2-enoic acid
CID 101041653
1-N,3-N,5-N-tris(5-chloro-2-hydroxyphenyl)benzene-1,3,5-tricarboxamide
CID 57074099
(E)-N-(5-chloro-2-hydroxyphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 17341208
sodium;4-(4-chloroanilino)-4-oxobut-2-enoic acid;hydride
CID 173448641
(E)-4-[2-[[(E)-3-carboxyprop-2-enoyl]amino]anilino]-4-oxobut-2-enoic acid
CID 717763
4-[2-(2,4-dichlorophenoxy)anilino]-4-oxobut-2-enoic acid
CID 2732170
4-[2-[2-(3-carboxyprop-2-enoylamino)phenyl]anilino]-4-oxobut-2-enoic acid
CID 1068901
N'-(5-chloro-2-hydroxyphenyl)-N-(4-chlorophenyl)oxamide
CID 108516598
4-[4-(4-chlorophenyl)anilino]-4-oxobut-2-enoic acid
CID 745490
(E)-4-[(4-chloro-2-fluorophenyl)carbamoylamino]-4-oxobut-2-enoic acid
CID 109374324

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(5-chloro-2-hydroxyanilino)-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-(5-chloro-2-hydroxyanilino)-4-oxobut-2-enoic acid (CID 18877712) is (Z)-4-(5-chloro-2-hydroxyanilino)-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-(5-chloro-2-hydroxyanilino)-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-(5-chloro-2-hydroxyanilino)-4-oxobut-2-enoic acid is O=C(O)/C=C\C(=O)Nc1cc(Cl)ccc1O.
What is the InChIKey of (Z)-4-(5-chloro-2-hydroxyanilino)-4-oxobut-2-enoic acid?
The InChIKey is BUSNWOXTYXOIGD-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H8ClNO4/c11-6-1-2-8(13)7(5-6)12-9(14)3-4-10(15)16/h1-5,13H,(H,12,14)(H,15,16)/b4-3-.
What are the key properties of (Z)-4-(5-chloro-2-hydroxyanilino)-4-oxobut-2-enoic acid?
(Z)-4-(5-chloro-2-hydroxyanilino)-4-oxobut-2-enoic acid has a molecular weight of 241.63 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(5-chloro-2-hydroxyanilino)-4-oxobut-2-enoic acid is sourced from PubChem (CID 18877712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).