2-(4-chloro-2-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide

C14H18ClNO2 — CID 113236436

IUPAC2-(4-chloro-2-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide
SMILESC/C=C/CCNC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C14H18ClNO2/c1-3-4-5-8-16-14(17)10-18-13-7-6-12(15)9-11(13)2/h3-4,6-7,9H,5,8,10H2,1-2H3,(H,16,17)/b4-3+
InChIKeyNRDHTRVDAAWYHH-ONEGZZNKSA-N
MW267.76 g/mol
LogP3.11
Rot. Bonds6

About 2-(4-chloro-2-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide (PubChem CID 113236436) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide
PubChem CID113236436
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide
SMILESC/C=C/CCNC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C14H18ClNO2/c1-3-4-5-8-16-14(17)10-18-13-7-6-12(15)9-11(13)2/h3-4,6-7,9H,5,8,10H2,1-2H3,(H,16,17)/b4-3+
InChIKeyNRDHTRVDAAWYHH-ONEGZZNKSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide
CID 119499872
2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 2276597
N-[(E)-pent-3-enyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 115627905
2-(4-chloro-2-methylphenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119504547
2-(2-methoxy-4-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide
CID 115628343
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9299910
2-(4-chloro-2-methylphenoxy)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide
CID 19174022
2-(4-chloro-2-methylphenoxy)-N-(2-phenoxyethyl)acetamide
CID 26903383
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 7936907
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 16548228
N'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide
CID 3250924
N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113102607

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide (CID 113236436) is 2-(4-chloro-2-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide is C/C=C/CCNC(=O)COc1ccc(Cl)cc1C.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide?
The InChIKey is NRDHTRVDAAWYHH-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-3-4-5-8-16-14(17)10-18-13-7-6-12(15)9-11(13)2/h3-4,6-7,9H,5,8,10H2,1-2H3,(H,16,17)/b4-3+.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide has a molecular weight of 267.76 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide is sourced from PubChem (CID 113236436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).