(E)-3-[2-chloro-4-(2-methylpropoxy)phenyl]-N-hydroxyprop-2-enamide

C13H16ClNO3 — CID 70685929

IUPAC(E)-3-[2-chloro-4-(2-methylpropoxy)phenyl]-N-hydroxyprop-2-enamide
SMILESCC(C)COc1ccc(/C=C/C(=O)NO)c(Cl)c1
InChIInChI=1S/C13H16ClNO3/c1-9(2)8-18-11-5-3-10(12(14)7-11)4-6-13(16)15-17/h3-7,9,17H,8H2,1-2H3,(H,15,16)/b6-4+
InChIKeyGCECAPWZSYZCRV-GQCTYLIASA-N
MW269.73 g/mol
LogP2.89
Rot. Bonds5

About (E)-3-[2-chloro-4-(2-methylpropoxy)phenyl]-N-hydroxyprop-2-enamide

(E)-3-[2-chloro-4-(2-methylpropoxy)phenyl]-N-hydroxyprop-2-enamide (PubChem CID 70685929) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is (E)-3-[2-chloro-4-(2-methylpropoxy)phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-chloro-4-(2-methylpropoxy)phenyl]-N-hydroxyprop-2-enamide
PubChem CID70685929
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name(E)-3-[2-chloro-4-(2-methylpropoxy)phenyl]-N-hydroxyprop-2-enamide
SMILESCC(C)COc1ccc(/C=C/C(=O)NO)c(Cl)c1
InChIInChI=1S/C13H16ClNO3/c1-9(2)8-18-11-5-3-10(12(14)7-11)4-6-13(16)15-17/h3-7,9,17H,8H2,1-2H3,(H,15,16)/b6-4+
InChIKeyGCECAPWZSYZCRV-GQCTYLIASA-N
XLogP2.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(2-methylpropoxy)benzaldehyde
CID 52982918
(E)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]-3-(2,4-dichlorophenyl)prop-2-enehydrazide
CID 19167523
3-[2-(3,4-dichlorophenoxy)phenyl]-N-hydroxyprop-2-enamide
CID 78137725
(E)-3-(4-chloro-2-methylphenyl)-N-hydroxyprop-2-enamide
CID 24860349
(E)-3-(2,4-dichlorophenyl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]prop-2-enamide
CID 99996229
2-[2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]ethoxy]propanoic acid
CID 110495196
3-[4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 131842632
3-[4-(2-methylpropoxy)phenyl]prop-2-enoate
CID 4201747
2-chloro-N-ethyl-4-(2-methylpropoxy)aniline
CID 82551741
(E)-3-[2-chloro-4-(3-fluorophenyl)phenyl]-N-hydroxyprop-2-enamide
CID 70692229
3-(2-chlorophenyl)-N-[4-(3-methylbutoxy)phenyl]prop-2-enamide
CID 4949705
(E)-1-[2-hydroxy-4-(2-methylpropoxy)phenyl]-3-(4-methylphenyl)prop-2-en-1-one
CID 139078667

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-chloro-4-(2-methylpropoxy)phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-chloro-4-(2-methylpropoxy)phenyl]-N-hydroxyprop-2-enamide (CID 70685929) is (E)-3-[2-chloro-4-(2-methylpropoxy)phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-chloro-4-(2-methylpropoxy)phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-chloro-4-(2-methylpropoxy)phenyl]-N-hydroxyprop-2-enamide is CC(C)COc1ccc(/C=C/C(=O)NO)c(Cl)c1.
What is the InChIKey of (E)-3-[2-chloro-4-(2-methylpropoxy)phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is GCECAPWZSYZCRV-GQCTYLIASA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-9(2)8-18-11-5-3-10(12(14)7-11)4-6-13(16)15-17/h3-7,9,17H,8H2,1-2H3,(H,15,16)/b6-4+.
What are the key properties of (E)-3-[2-chloro-4-(2-methylpropoxy)phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[2-chloro-4-(2-methylpropoxy)phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 269.73 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-chloro-4-(2-methylpropoxy)phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 70685929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).