(2-amino-3-fluorophenyl)-(2-propan-2-yloxyphenyl)methanone

C16H16FNO2 — CID 116597562

IUPAC(2-amino-3-fluorophenyl)-(2-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccccc1C(=O)c1cccc(F)c1N
InChIInChI=1S/C16H16FNO2/c1-10(2)20-14-9-4-3-6-11(14)16(19)12-7-5-8-13(17)15(12)18/h3-10H,18H2,1-2H3
InChIKeyWRLCBOAMFQVURY-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.43
Rot. Bonds4

About (2-amino-3-fluorophenyl)-(2-propan-2-yloxyphenyl)methanone

(2-amino-3-fluorophenyl)-(2-propan-2-yloxyphenyl)methanone (PubChem CID 116597562) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is (2-amino-3-fluorophenyl)-(2-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(2-amino-3-fluorophenyl)-(2-propan-2-yloxyphenyl)methanone
PubChem CID116597562
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name(2-amino-3-fluorophenyl)-(2-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccccc1C(=O)c1cccc(F)c1N
InChIInChI=1S/C16H16FNO2/c1-10(2)20-14-9-4-3-6-11(14)16(19)12-7-5-8-13(17)15(12)18/h3-10H,18H2,1-2H3
InChIKeyWRLCBOAMFQVURY-UHFFFAOYSA-N
XLogP3.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-methylsulfanylphenyl)-(2-propan-2-yloxyphenyl)methanone
CID 115788569
2-amino-3-fluoro-N-propan-2-ylbenzamide
CID 62648902
2-propan-2-yloxybenzoyl chloride
CID 15921914
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
1-(2-amino-3-fluorophenyl)-2-methylpentan-1-one
CID 107890280
2-amino-2-phenyl-1-(2-propan-2-yloxyphenyl)ethanone
CID 116551128
[4-(dimethylamino)phenyl]-(2-propan-2-yloxyphenyl)methanone
CID 105119950
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
2,2,2-trichloro-1-(2-propan-2-yloxyphenyl)ethanone
CID 146008297
(2-amino-3-fluorophenyl)-(4-hydroxyphenyl)methanone
CID 105489005
2-(3,4-difluorophenyl)-1-(2-propan-2-yloxyphenyl)ethanone
CID 115788644
2-amino-3-methoxy-1-(2-propan-2-yloxyphenyl)propan-1-one
CID 116593953

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-fluorophenyl)-(2-propan-2-yloxyphenyl)methanone?
The IUPAC name of (2-amino-3-fluorophenyl)-(2-propan-2-yloxyphenyl)methanone (CID 116597562) is (2-amino-3-fluorophenyl)-(2-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (2-amino-3-fluorophenyl)-(2-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (2-amino-3-fluorophenyl)-(2-propan-2-yloxyphenyl)methanone is CC(C)Oc1ccccc1C(=O)c1cccc(F)c1N.
What is the InChIKey of (2-amino-3-fluorophenyl)-(2-propan-2-yloxyphenyl)methanone?
The InChIKey is WRLCBOAMFQVURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-10(2)20-14-9-4-3-6-11(14)16(19)12-7-5-8-13(17)15(12)18/h3-10H,18H2,1-2H3.
What are the key properties of (2-amino-3-fluorophenyl)-(2-propan-2-yloxyphenyl)methanone?
(2-amino-3-fluorophenyl)-(2-propan-2-yloxyphenyl)methanone has a molecular weight of 273.31 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-fluorophenyl)-(2-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 116597562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).