(E)-3-(3-chloro-4-pentoxyphenyl)-N-hydroxyprop-2-enamide

C14H18ClNO3 — CID 125487424

IUPAC(E)-3-(3-chloro-4-pentoxyphenyl)-N-hydroxyprop-2-enamide
SMILESCCCCCOc1ccc(/C=C/C(=O)NO)cc1Cl
InChIInChI=1S/C14H18ClNO3/c1-2-3-4-9-19-13-7-5-11(10-12(13)15)6-8-14(17)16-18/h5-8,10,18H,2-4,9H2,1H3,(H,16,17)/b8-6+
InChIKeyJFUHMNLQKMSMFK-SOFGYWHQSA-N
MW283.75 g/mol
LogP3.43
Rot. Bonds7

About (E)-3-(3-chloro-4-pentoxyphenyl)-N-hydroxyprop-2-enamide

(E)-3-(3-chloro-4-pentoxyphenyl)-N-hydroxyprop-2-enamide (PubChem CID 125487424) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is (E)-3-(3-chloro-4-pentoxyphenyl)-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chloro-4-pentoxyphenyl)-N-hydroxyprop-2-enamide
PubChem CID125487424
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name(E)-3-(3-chloro-4-pentoxyphenyl)-N-hydroxyprop-2-enamide
SMILESCCCCCOc1ccc(/C=C/C(=O)NO)cc1Cl
InChIInChI=1S/C14H18ClNO3/c1-2-3-4-9-19-13-7-5-11(10-12(13)15)6-8-14(17)16-18/h5-8,10,18H,2-4,9H2,1H3,(H,16,17)/b8-6+
InChIKeyJFUHMNLQKMSMFK-SOFGYWHQSA-N
XLogP3.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(3-chloro-4-pentoxyphenyl)-N-hydroxyprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(4-butoxy-3-chlorophenyl)-N-hydroxyprop-2-enamide
CID 125487478
(E)-N-hydroxy-3-(3-methyl-4-propoxyphenyl)prop-2-enamide
CID 6433962
(E)-3-[3-chloro-4-(4-methoxybutoxy)phenyl]prop-2-enoic acid
CID 104648161
(E)-3-(3-bromo-4-pentoxyphenyl)prop-2-enoic acid
CID 20986627
3-(3-chloro-4-ethoxyphenyl)prop-2-enoyl chloride
CID 131846945
1-(3-chloro-4-octoxyphenyl)ethanone
CID 55223026
4-[(E)-2-(3-chloro-4-octoxyphenyl)ethenyl]-N-[5-[[4-[(E)-2-(3-chloro-4-octoxyphenyl)ethenyl]benzoyl]amino]-3,4-dicyanothiophen-2-yl]benzamide
CID 102361337
3-[3-chloro-4-[3-(ethylamino)-3-oxopropoxy]phenyl]prop-2-enoic acid
CID 76939813
(Z)-3-(3-amino-4-propoxyphenyl)-N-pentylprop-2-enamide
CID 82152955
(E)-3-[3-chloro-4-(2-propylsulfonylethoxy)phenyl]prop-2-enoic acid
CID 106726654
2-[[(E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]acetic acid
CID 102534546
N-(3,5-dimethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 4086044

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chloro-4-pentoxyphenyl)-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-(3-chloro-4-pentoxyphenyl)-N-hydroxyprop-2-enamide (CID 125487424) is (E)-3-(3-chloro-4-pentoxyphenyl)-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-(3-chloro-4-pentoxyphenyl)-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-(3-chloro-4-pentoxyphenyl)-N-hydroxyprop-2-enamide is CCCCCOc1ccc(/C=C/C(=O)NO)cc1Cl.
What is the InChIKey of (E)-3-(3-chloro-4-pentoxyphenyl)-N-hydroxyprop-2-enamide?
The InChIKey is JFUHMNLQKMSMFK-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-2-3-4-9-19-13-7-5-11(10-12(13)15)6-8-14(17)16-18/h5-8,10,18H,2-4,9H2,1H3,(H,16,17)/b8-6+.
What are the key properties of (E)-3-(3-chloro-4-pentoxyphenyl)-N-hydroxyprop-2-enamide?
(E)-3-(3-chloro-4-pentoxyphenyl)-N-hydroxyprop-2-enamide has a molecular weight of 283.75 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chloro-4-pentoxyphenyl)-N-hydroxyprop-2-enamide is sourced from PubChem (CID 125487424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).