N-[(3-fluorophenyl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide

C19H22FNO2 — CID 46590053

IUPACN-[(3-fluorophenyl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
SMILESCc1cc(OCC(=O)NCc2cccc(F)c2)ccc1C(C)C
InChIInChI=1S/C19H22FNO2/c1-13(2)18-8-7-17(9-14(18)3)23-12-19(22)21-11-15-5-4-6-16(20)10-15/h4-10,13H,11-12H2,1-3H3,(H,21,22)
InChIKeyYAUYTTNVIUHDKN-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.95
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide

N-[(3-fluorophenyl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide (PubChem CID 46590053) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
PubChem CID46590053
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC NameN-[(3-fluorophenyl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
SMILESCc1cc(OCC(=O)NCc2cccc(F)c2)ccc1C(C)C
InChIInChI=1S/C19H22FNO2/c1-13(2)18-8-7-17(9-14(18)3)23-12-19(22)21-11-15-5-4-6-16(20)10-15/h4-10,13H,11-12H2,1-3H3,(H,21,22)
InChIKeyYAUYTTNVIUHDKN-UHFFFAOYSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 55862256
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 8712725
2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 9170871
2-(3-methyl-4-propan-2-ylphenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
CID 55619635
N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)acetamide
CID 53288657
N-[(4-ethoxyphenyl)methyl]-2-(3-fluorophenoxy)acetamide
CID 110780897
2-(3-methyl-4-propan-2-ylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 25496915
N-[(3-ethoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 30384331
N-(2-chloro-4-fluorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 26693197
N-(3-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 729999
N-[2-(4-methylphenoxy)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19174758
2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 7535879

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide (CID 46590053) is N-[(3-fluorophenyl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide is Cc1cc(OCC(=O)NCc2cccc(F)c2)ccc1C(C)C.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The InChIKey is YAUYTTNVIUHDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-13(2)18-8-7-17(9-14(18)3)23-12-19(22)21-11-15-5-4-6-16(20)10-15/h4-10,13H,11-12H2,1-3H3,(H,21,22).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
N-[(3-fluorophenyl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide has a molecular weight of 315.39 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 46590053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).