(Z)-2-chloro-3-phenoxybut-2-enediamide

C10H9ClN2O3 — CID 88704508

IUPAC(Z)-2-chloro-3-phenoxybut-2-enediamide
SMILESNC(=O)/C(Cl)=C(/Oc1ccccc1)C(N)=O
InChIInChI=1S/C10H9ClN2O3/c11-7(9(12)14)8(10(13)15)16-6-4-2-1-3-5-6/h1-5H,(H2,12,14)(H2,13,15)/b8-7-
InChIKeyDCODVTDBHZLXPQ-FPLPWBNLSA-N
MW240.65 g/mol
LogP0.49
Rot. Bonds4

About (Z)-2-chloro-3-phenoxybut-2-enediamide

(Z)-2-chloro-3-phenoxybut-2-enediamide (PubChem CID 88704508) has the molecular formula C10H9ClN2O3 and a molecular weight of 240.65 g/mol. Its IUPAC name is (Z)-2-chloro-3-phenoxybut-2-enediamide.

Molecular Properties

Compound Name(Z)-2-chloro-3-phenoxybut-2-enediamide
PubChem CID88704508
Molecular FormulaC10H9ClN2O3
Molecular Weight240.65 g/mol
Exact Mass240.03
IUPAC Name(Z)-2-chloro-3-phenoxybut-2-enediamide
SMILESNC(=O)/C(Cl)=C(/Oc1ccccc1)C(N)=O
InChIInChI=1S/C10H9ClN2O3/c11-7(9(12)14)8(10(13)15)16-6-4-2-1-3-5-6/h1-5H,(H2,12,14)(H2,13,15)/b8-7-
InChIKeyDCODVTDBHZLXPQ-FPLPWBNLSA-N
XLogP0.49
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methanamine;phenyl carbonochloridate
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iron;phenyl carbonochloridate
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phenyl 3-carbonochloridoyl-2-oxoimidazolidine-1-carboxylate
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phenyl N-(2-aminoacetyl)carbamate
CID 20596874
2-phenoxy-3-phenylprop-2-enamide
CID 70366581
butane;phenyl carbamate
CID 145076324
phenyl 2-bromo-2-chloroacetate
CID 174609883
azane;carbamoyl phenyl carbonate
CID 175328775
phenyl 2,3-dichloro-4,4,4-trifluorobut-2-enoate
CID 154352337
diphenyl oxalate;ethane
CID 162013592
carbonochloridic acid;phenyl 2,2-dimethylpropanoate
CID 174754992
phenyl carbamate;prop-1-ene
CID 158313196

Frequently Asked Questions

What is the IUPAC name of (Z)-2-chloro-3-phenoxybut-2-enediamide?
The IUPAC name of (Z)-2-chloro-3-phenoxybut-2-enediamide (CID 88704508) is (Z)-2-chloro-3-phenoxybut-2-enediamide.
What is the SMILES notation for (Z)-2-chloro-3-phenoxybut-2-enediamide?
The canonical SMILES for (Z)-2-chloro-3-phenoxybut-2-enediamide is NC(=O)/C(Cl)=C(/Oc1ccccc1)C(N)=O.
What is the InChIKey of (Z)-2-chloro-3-phenoxybut-2-enediamide?
The InChIKey is DCODVTDBHZLXPQ-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H9ClN2O3/c11-7(9(12)14)8(10(13)15)16-6-4-2-1-3-5-6/h1-5H,(H2,12,14)(H2,13,15)/b8-7-.
What are the key properties of (Z)-2-chloro-3-phenoxybut-2-enediamide?
(Z)-2-chloro-3-phenoxybut-2-enediamide has a molecular weight of 240.65 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-chloro-3-phenoxybut-2-enediamide is sourced from PubChem (CID 88704508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).