(2-amino-5-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone

C14H11ClFNO2 — CID 90097176

IUPAC(2-amino-5-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2cc(Cl)ccc2N)c1F
InChIInChI=1S/C14H11ClFNO2/c1-19-12-4-2-3-9(13(12)16)14(18)10-7-8(15)5-6-11(10)17/h2-7H,17H2,1H3
InChIKeyBUBZFOYVELYMHY-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.30
Rot. Bonds3

About (2-amino-5-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone

(2-amino-5-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone (PubChem CID 90097176) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is (2-amino-5-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
PubChem CID90097176
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name(2-amino-5-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2cc(Cl)ccc2N)c1F
InChIInChI=1S/C14H11ClFNO2/c1-19-12-4-2-3-9(13(12)16)14(18)10-7-8(15)5-6-11(10)17/h2-7H,17H2,1H3
InChIKeyBUBZFOYVELYMHY-UHFFFAOYSA-N
XLogP3.30
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.30
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-bromo-4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 114025571
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
(5-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 113425387
(4-amino-3-bromophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 116582093
(4-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 114905847
(2-chloro-4,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanone
CID 62649157
(2-chloro-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 112694005
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
(2-chloro-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81481073
(3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 82807772
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone
CID 18069
(4-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 116809979

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone?
The IUPAC name of (2-amino-5-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone (CID 90097176) is (2-amino-5-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone.
What is the SMILES notation for (2-amino-5-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone?
The canonical SMILES for (2-amino-5-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone is COc1cccc(C(=O)c2cc(Cl)ccc2N)c1F.
What is the InChIKey of (2-amino-5-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone?
The InChIKey is BUBZFOYVELYMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c1-19-12-4-2-3-9(13(12)16)14(18)10-7-8(15)5-6-11(10)17/h2-7H,17H2,1H3.
What are the key properties of (2-amino-5-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone?
(2-amino-5-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone has a molecular weight of 279.70 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone is sourced from PubChem (CID 90097176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).