N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(4-fluorophenoxy)acetamide

C18H18FNO3 — CID 110784257

IUPACN-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)NCc1ccc2c(c1)CCCO2
InChIInChI=1S/C18H18FNO3/c19-15-4-6-16(7-5-15)23-12-18(21)20-11-13-3-8-17-14(10-13)2-1-9-22-17/h3-8,10H,1-2,9,11-12H2,(H,20,21)
InChIKeyIBXMSPIWELJKDH-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.85
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(4-fluorophenoxy)acetamide

N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(4-fluorophenoxy)acetamide (PubChem CID 110784257) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(4-fluorophenoxy)acetamide
PubChem CID110784257
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)NCc1ccc2c(c1)CCCO2
InChIInChI=1S/C18H18FNO3/c19-15-4-6-16(7-5-15)23-12-18(21)20-11-13-3-8-17-14(10-13)2-1-9-22-17/h3-8,10H,1-2,9,11-12H2,(H,20,21)
InChIKeyIBXMSPIWELJKDH-UHFFFAOYSA-N
XLogP2.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 110784239
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetamide
CID 91831716
3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide
CID 82496307
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
CID 118793968
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(4-fluorophenoxy)propyl]urea
CID 86952371
2-(4-tert-butylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 27761157
2-(4-cyanophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 26678170
2-(4-fluorophenoxy)-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]acetamide
CID 110783504
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(2-methoxyphenyl)propanamide
CID 110784245
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(oxan-2-ylmethoxy)acetamide
CID 91775341
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 91831785
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-phenoxyacetamide
CID 110780371

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(4-fluorophenoxy)acetamide (CID 110784257) is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(4-fluorophenoxy)acetamide is O=C(COc1ccc(F)cc1)NCc1ccc2c(c1)CCCO2.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(4-fluorophenoxy)acetamide?
The InChIKey is IBXMSPIWELJKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c19-15-4-6-16(7-5-15)23-12-18(21)20-11-13-3-8-17-14(10-13)2-1-9-22-17/h3-8,10H,1-2,9,11-12H2,(H,20,21).
What are the key properties of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(4-fluorophenoxy)acetamide?
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(4-fluorophenoxy)acetamide has a molecular weight of 315.34 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 110784257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).