(5-amino-2,4-difluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone

C14H9ClF3NO — CID 81050999

IUPAC(5-amino-2,4-difluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
SMILESCc1cc(C(=O)c2cc(N)c(F)cc2F)c(Cl)cc1F
InChIInChI=1S/C14H9ClF3NO/c1-6-2-7(9(15)4-10(6)16)14(20)8-3-13(19)12(18)5-11(8)17/h2-5H,19H2,1H3
InChIKeySAOPPBWCSGHQAC-UHFFFAOYSA-N
MW299.68 g/mol
LogP3.88
Rot. Bonds2

About (5-amino-2,4-difluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone

(5-amino-2,4-difluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone (PubChem CID 81050999) has the molecular formula C14H9ClF3NO and a molecular weight of 299.68 g/mol. Its IUPAC name is (5-amino-2,4-difluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(5-amino-2,4-difluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
PubChem CID81050999
Molecular FormulaC14H9ClF3NO
Molecular Weight299.68 g/mol
Exact Mass299.03
IUPAC Name(5-amino-2,4-difluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
SMILESCc1cc(C(=O)c2cc(N)c(F)cc2F)c(Cl)cc1F
InChIInChI=1S/C14H9ClF3NO/c1-6-2-7(9(15)4-10(6)16)14(20)8-3-13(19)12(18)5-11(8)17/h2-5H,19H2,1H3
InChIKeySAOPPBWCSGHQAC-UHFFFAOYSA-N
XLogP3.88
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.68
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;5-amino-2-chloro-4-fluorobenzoic acid;2-chloro-4-fluoro-5-methylbenzoic acid
CID 157068399
(5-amino-2,4-dimethylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 102707053
(3-amino-2-chlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 112580817
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 81045884
(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81045885
(3-amino-4,5-dichlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81050839
(5-amino-2,4-difluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400298
(2-amino-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 79733206
(2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone
CID 81045029
(2-amino-4,5-difluorophenyl)-(2-chloro-4,5-difluorophenyl)methanone
CID 107477775
(4-amino-3-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 104785073
(2-chloro-4,5-difluorophenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 107475698

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,4-difluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone?
The IUPAC name of (5-amino-2,4-difluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone (CID 81050999) is (5-amino-2,4-difluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for (5-amino-2,4-difluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone?
The canonical SMILES for (5-amino-2,4-difluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone is Cc1cc(C(=O)c2cc(N)c(F)cc2F)c(Cl)cc1F.
What is the InChIKey of (5-amino-2,4-difluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone?
The InChIKey is SAOPPBWCSGHQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO/c1-6-2-7(9(15)4-10(6)16)14(20)8-3-13(19)12(18)5-11(8)17/h2-5H,19H2,1H3.
What are the key properties of (5-amino-2,4-difluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone?
(5-amino-2,4-difluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone has a molecular weight of 299.68 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,4-difluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 81050999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).