(E)-3-(2,3-dichloroanilino)prop-2-enoic acid

C9H7Cl2NO2 — CID 103236214

IUPAC(E)-3-(2,3-dichloroanilino)prop-2-enoic acid
SMILESO=C(O)/C=C/Nc1cccc(Cl)c1Cl
InChIInChI=1S/C9H7Cl2NO2/c10-6-2-1-3-7(9(6)11)12-5-4-8(13)14/h1-5,12H,(H,13,14)/b5-4+
InChIKeyUZUJUIUEVCXBKE-SNAWJCMRSA-N
MW232.07 g/mol
LogP3.00
Rot. Bonds3

About (E)-3-(2,3-dichloroanilino)prop-2-enoic acid

(E)-3-(2,3-dichloroanilino)prop-2-enoic acid (PubChem CID 103236214) has the molecular formula C9H7Cl2NO2 and a molecular weight of 232.07 g/mol. Its IUPAC name is (E)-3-(2,3-dichloroanilino)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(2,3-dichloroanilino)prop-2-enoic acid
PubChem CID103236214
Molecular FormulaC9H7Cl2NO2
Molecular Weight232.07 g/mol
Exact Mass230.99
IUPAC Name(E)-3-(2,3-dichloroanilino)prop-2-enoic acid
SMILESO=C(O)/C=C/Nc1cccc(Cl)c1Cl
InChIInChI=1S/C9H7Cl2NO2/c10-6-2-1-3-7(9(6)11)12-5-4-8(13)14/h1-5,12H,(H,13,14)/b5-4+
InChIKeyUZUJUIUEVCXBKE-SNAWJCMRSA-N
XLogP3.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.07
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2,3-dichloroanilino)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 2289698
(E)-4-[(2,3-dichlorophenyl)carbamoylamino]but-2-enoic acid
CID 112746635
(E)-3-(2-chloro-4-methylanilino)prop-2-enoic acid
CID 103236417
(Z)-3-(2,3-dichlorophenyl)prop-2-enoic acid
CID 2412390
N-(2,3-dichlorophenyl)hydroxylamine
CID 18942828
(E)-4-(3-chloro-2-methylanilino)-4-oxobut-2-enoic acid
CID 2143440
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
N,N'-bis(2,3-dichlorophenyl)dodecanediamide
CID 3641487
(E)-4-[(2,3-dichlorophenyl)methylamino]-4-oxobut-2-enoic acid
CID 134114688
(E)-3-(2-bromo-5-chloro-4-methylanilino)prop-2-enoic acid
CID 103265079
(E)-3-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 81252626
(E)-1-(4-bromophenyl)-3-(2-chloroanilino)prop-2-en-1-one
CID 51042951

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dichloroanilino)prop-2-enoic acid?
The IUPAC name of (E)-3-(2,3-dichloroanilino)prop-2-enoic acid (CID 103236214) is (E)-3-(2,3-dichloroanilino)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(2,3-dichloroanilino)prop-2-enoic acid?
The canonical SMILES for (E)-3-(2,3-dichloroanilino)prop-2-enoic acid is O=C(O)/C=C/Nc1cccc(Cl)c1Cl.
What is the InChIKey of (E)-3-(2,3-dichloroanilino)prop-2-enoic acid?
The InChIKey is UZUJUIUEVCXBKE-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H7Cl2NO2/c10-6-2-1-3-7(9(6)11)12-5-4-8(13)14/h1-5,12H,(H,13,14)/b5-4+.
What are the key properties of (E)-3-(2,3-dichloroanilino)prop-2-enoic acid?
(E)-3-(2,3-dichloroanilino)prop-2-enoic acid has a molecular weight of 232.07 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dichloroanilino)prop-2-enoic acid is sourced from PubChem (CID 103236214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).