(2-amino-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone

C14H11ClFNO — CID 116581480

IUPAC(2-amino-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
SMILESCc1ccc(N)c(C(=O)c2ccc(Cl)cc2F)c1
InChIInChI=1S/C14H11ClFNO/c1-8-2-5-13(17)11(6-8)14(18)10-4-3-9(15)7-12(10)16/h2-7H,17H2,1H3
InChIKeyMPSHXRBYHVPKIK-UHFFFAOYSA-N
MW263.70 g/mol
LogP3.60
Rot. Bonds2

About (2-amino-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone

(2-amino-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone (PubChem CID 116581480) has the molecular formula C14H11ClFNO and a molecular weight of 263.70 g/mol. Its IUPAC name is (2-amino-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
PubChem CID116581480
Molecular FormulaC14H11ClFNO
Molecular Weight263.70 g/mol
Exact Mass263.05
IUPAC Name(2-amino-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
SMILESCc1ccc(N)c(C(=O)c2ccc(Cl)cc2F)c1
InChIInChI=1S/C14H11ClFNO/c1-8-2-5-13(17)11(6-8)14(18)10-4-3-9(15)7-12(10)16/h2-7H,17H2,1H3
InChIKeyMPSHXRBYHVPKIK-UHFFFAOYSA-N
XLogP3.60
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 53.60
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

(4-chloro-2-fluorophenyl)-(2,4-dimethylphenyl)methanone
CID 43160123
(2-amino-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 79733206
(2-chlorophenyl)-(2-fluoro-4-methylphenyl)methanone
CID 114963346
[2-amino-5-(trifluoromethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone
CID 115911534
(2-amino-5-methylphenyl)-(4-bromo-3-chloro-2-fluorophenyl)methanone
CID 106764014
(2-amino-5-methylphenyl)-(3,5-difluorophenyl)methanone
CID 116581444
(4-chloro-2-fluorophenyl)-(4-fluoro-2-methylphenyl)methanone
CID 55181742
(2-amino-5-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone
CID 106880126
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 81045884
(4-chloro-2-fluorophenyl)-(2-methyl-3-pyridinyl)methanone
CID 105122735
(5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone
CID 79743347
bis(2-amino-4-chlorophenyl)methanone
CID 15130044

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone?
The IUPAC name of (2-amino-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone (CID 116581480) is (2-amino-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone.
What is the SMILES notation for (2-amino-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone?
The canonical SMILES for (2-amino-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone is Cc1ccc(N)c(C(=O)c2ccc(Cl)cc2F)c1.
What is the InChIKey of (2-amino-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone?
The InChIKey is MPSHXRBYHVPKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO/c1-8-2-5-13(17)11(6-8)14(18)10-4-3-9(15)7-12(10)16/h2-7H,17H2,1H3.
What are the key properties of (2-amino-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone?
(2-amino-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone has a molecular weight of 263.70 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone is sourced from PubChem (CID 116581480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).