(2-amino-5-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone

C15H13ClFNO — CID 106880126

IUPAC(2-amino-5-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone
SMILESCc1cc(F)cc(C)c1C(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C15H13ClFNO/c1-8-5-11(17)6-9(2)14(8)15(19)12-7-10(16)3-4-13(12)18/h3-7H,18H2,1-2H3
InChIKeyYKJBQEIKANIYSO-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.91
Rot. Bonds2

About (2-amino-5-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone

(2-amino-5-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone (PubChem CID 106880126) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is (2-amino-5-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone
PubChem CID106880126
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name(2-amino-5-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone
SMILESCc1cc(F)cc(C)c1C(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C15H13ClFNO/c1-8-5-11(17)6-9(2)14(8)15(19)12-7-10(16)3-4-13(12)18/h3-7H,18H2,1-2H3
InChIKeyYKJBQEIKANIYSO-UHFFFAOYSA-N
XLogP3.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-amino-5-chlorophenyl)-(2-chloro-6-fluorophenyl)methanone
CID 67505353
(4-fluoro-2,6-dimethylphenyl)-(2-fluorophenyl)methanone
CID 106876756
(2-amino-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 116581480
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone
CID 18069
S-methyl 2-amino-5-chlorobenzenecarbothioate
CID 134117277
(4-chloro-3-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone
CID 107998445
(2-amino-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319706
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone;hydrochloride
CID 23355179
N-(2-amino-5-fluorophenyl)-5-chloro-2-methylbenzamide
CID 82881025
(2-amino-5-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 90097176
(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methanone
CID 106877008
(2-amino-6-methylphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400288

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone?
The IUPAC name of (2-amino-5-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone (CID 106880126) is (2-amino-5-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone.
What is the SMILES notation for (2-amino-5-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone?
The canonical SMILES for (2-amino-5-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone is Cc1cc(F)cc(C)c1C(=O)c1cc(Cl)ccc1N.
What is the InChIKey of (2-amino-5-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone?
The InChIKey is YKJBQEIKANIYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c1-8-5-11(17)6-9(2)14(8)15(19)12-7-10(16)3-4-13(12)18/h3-7H,18H2,1-2H3.
What are the key properties of (2-amino-5-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone?
(2-amino-5-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone has a molecular weight of 277.73 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone is sourced from PubChem (CID 106880126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).