1-[5-amino-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanone

C15H13ClFNO2 — CID 103046263

IUPAC1-[5-amino-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1cc(N)ccc1OCc1cc(Cl)ccc1F
InChIInChI=1S/C15H13ClFNO2/c1-9(19)13-7-12(18)3-5-15(13)20-8-10-6-11(16)2-4-14(10)17/h2-7H,8,18H2,1H3
InChIKeyBYQVROWODYLSRJ-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.84
Rot. Bonds4

About 1-[5-amino-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanone

1-[5-amino-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanone (PubChem CID 103046263) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is 1-[5-amino-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-amino-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanone
PubChem CID103046263
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Name1-[5-amino-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1cc(N)ccc1OCc1cc(Cl)ccc1F
InChIInChI=1S/C15H13ClFNO2/c1-9(19)13-7-12(18)3-5-15(13)20-8-10-6-11(16)2-4-14(10)17/h2-7H,8,18H2,1H3
InChIKeyBYQVROWODYLSRJ-UHFFFAOYSA-N
XLogP3.84
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanone
CID 103046643
1-[5-amino-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanone
CID 116541044
2-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxybenzoic acid
CID 103046283
1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride
CID 23470682
1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanone
CID 106863598
1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one
CID 103046633
1-[5-amino-2-(1-benzothiophen-3-ylmethoxy)phenyl]ethanone
CID 116541051
methyl 5-amino-2-[(4-chlorophenyl)methoxy]benzoate
CID 65126151
(NZ)-N-[1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 103046778
4-amino-2-[(2,5-dichlorophenyl)methoxy]benzoic acid
CID 106954818
3-[(2-acetyl-4-bromophenoxy)methyl]-4-fluorobenzonitrile
CID 60705974
1-[4-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanone
CID 102948055

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[5-amino-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanone (CID 103046263) is 1-[5-amino-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[5-amino-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[5-amino-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanone is CC(=O)c1cc(N)ccc1OCc1cc(Cl)ccc1F.
What is the InChIKey of 1-[5-amino-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanone?
The InChIKey is BYQVROWODYLSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c1-9(19)13-7-12(18)3-5-15(13)20-8-10-6-11(16)2-4-14(10)17/h2-7H,8,18H2,1H3.
What are the key properties of 1-[5-amino-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanone?
1-[5-amino-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanone has a molecular weight of 293.73 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 103046263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).