2-[[2-(3-fluorophenoxy)acetyl]amino]-N-prop-2-enylbenzamide

C18H17FN2O3 — CID 18158401

IUPAC2-[[2-(3-fluorophenoxy)acetyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)COc1cccc(F)c1
InChIInChI=1S/C18H17FN2O3/c1-2-10-20-18(23)15-8-3-4-9-16(15)21-17(22)12-24-14-7-5-6-13(19)11-14/h2-9,11H,1,10,12H2,(H,20,23)(H,21,22)
InChIKeyKXFYMKUSRXPLMN-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.76
Rot. Bonds7

About 2-[[2-(3-fluorophenoxy)acetyl]amino]-N-prop-2-enylbenzamide

2-[[2-(3-fluorophenoxy)acetyl]amino]-N-prop-2-enylbenzamide (PubChem CID 18158401) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 2-[[2-(3-fluorophenoxy)acetyl]amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[[2-(3-fluorophenoxy)acetyl]amino]-N-prop-2-enylbenzamide
PubChem CID18158401
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name2-[[2-(3-fluorophenoxy)acetyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)COc1cccc(F)c1
InChIInChI=1S/C18H17FN2O3/c1-2-10-20-18(23)15-8-3-4-9-16(15)21-17(22)12-24-14-7-5-6-13(19)11-14/h2-9,11H,1,10,12H2,(H,20,23)(H,21,22)
InChIKeyKXFYMKUSRXPLMN-UHFFFAOYSA-N
XLogP2.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(3-ethylphenoxy)acetyl]amino]-N-prop-2-enylbenzamide
CID 18158413
2-[(2-naphthalen-2-yloxyacetyl)amino]-N-prop-2-enylbenzamide
CID 4932273
2-[(3-fluorobenzoyl)amino]-N-prop-2-enylbenzamide
CID 6461650
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-prop-2-enylbenzamide
CID 4932228
2-fluoro-N'-[2-(3-fluorophenoxy)acetyl]benzohydrazide
CID 2709557
2-[(2-phenylacetyl)amino]-N-prop-2-enylbenzamide
CID 3915249
N-(4-fluorophenyl)-2-[(2-naphthalen-2-yloxyacetyl)amino]benzamide
CID 1300898
4-oxo-4-[2-(prop-2-enylcarbamoyl)anilino]butanoic acid
CID 4932263
2-(butanoylamino)-N-prop-2-enylbenzamide
CID 4932304
2-[[2-(3-methylphenoxy)acetyl]amino]-N-propylbenzamide
CID 4945928
N-(2-methoxyethyl)-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide
CID 94595466

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluorophenoxy)acetyl]amino]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[[2-(3-fluorophenoxy)acetyl]amino]-N-prop-2-enylbenzamide (CID 18158401) is 2-[[2-(3-fluorophenoxy)acetyl]amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[[2-(3-fluorophenoxy)acetyl]amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[[2-(3-fluorophenoxy)acetyl]amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NC(=O)COc1cccc(F)c1.
What is the InChIKey of 2-[[2-(3-fluorophenoxy)acetyl]amino]-N-prop-2-enylbenzamide?
The InChIKey is KXFYMKUSRXPLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-2-10-20-18(23)15-8-3-4-9-16(15)21-17(22)12-24-14-7-5-6-13(19)11-14/h2-9,11H,1,10,12H2,(H,20,23)(H,21,22).
What are the key properties of 2-[[2-(3-fluorophenoxy)acetyl]amino]-N-prop-2-enylbenzamide?
2-[[2-(3-fluorophenoxy)acetyl]amino]-N-prop-2-enylbenzamide has a molecular weight of 328.34 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluorophenoxy)acetyl]amino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 18158401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).