(4-amino-2-chlorophenyl)-(4-fluoro-2-methylphenyl)methanone

C14H11ClFNO — CID 18618724

IUPAC(4-amino-2-chlorophenyl)-(4-fluoro-2-methylphenyl)methanone
SMILESCc1cc(F)ccc1C(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C14H11ClFNO/c1-8-6-9(16)2-4-11(8)14(18)12-5-3-10(17)7-13(12)15/h2-7H,17H2,1H3
InChIKeyPTFQDUQPDDCGKW-UHFFFAOYSA-N
MW263.70 g/mol
LogP3.60
Rot. Bonds2

About (4-amino-2-chlorophenyl)-(4-fluoro-2-methylphenyl)methanone

(4-amino-2-chlorophenyl)-(4-fluoro-2-methylphenyl)methanone (PubChem CID 18618724) has the molecular formula C14H11ClFNO and a molecular weight of 263.70 g/mol. Its IUPAC name is (4-amino-2-chlorophenyl)-(4-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name(4-amino-2-chlorophenyl)-(4-fluoro-2-methylphenyl)methanone
PubChem CID18618724
Molecular FormulaC14H11ClFNO
Molecular Weight263.70 g/mol
Exact Mass263.05
IUPAC Name(4-amino-2-chlorophenyl)-(4-fluoro-2-methylphenyl)methanone
SMILESCc1cc(F)ccc1C(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C14H11ClFNO/c1-8-6-9(16)2-4-11(8)14(18)12-5-3-10(17)7-13(12)15/h2-7H,17H2,1H3
InChIKeyPTFQDUQPDDCGKW-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-4-fluorophenyl)-(4-chloro-2-methylphenyl)methanone
CID 146005847
(2-chloro-4-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 113399945
(4-chloro-2-fluorophenyl)-(4-fluoro-2-methylphenyl)methanone
CID 55181742
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanone
CID 81273528
(4-amino-2-chlorophenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]methanone
CID 67314649
(2-chloro-4-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43159718
(2-amino-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319706
(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanone
CID 3016510
(4-amino-2-methylphenyl)-(2,4-diaminophenyl)methanone
CID 163468215
[3-chloro-4-(4-chloro-2-methylbenzoyl)phenyl]-(4-fluoro-2-methylphenyl)carbamic acid
CID 91484056
(4-amino-2-chlorophenyl)-(4-methoxy-2,6-dimethylphenyl)methanone
CID 18358234
(4-amino-2-chlorophenyl)-(3-bromo-2-fluorophenyl)methanone
CID 114020550

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-chlorophenyl)-(4-fluoro-2-methylphenyl)methanone?
The IUPAC name of (4-amino-2-chlorophenyl)-(4-fluoro-2-methylphenyl)methanone (CID 18618724) is (4-amino-2-chlorophenyl)-(4-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for (4-amino-2-chlorophenyl)-(4-fluoro-2-methylphenyl)methanone?
The canonical SMILES for (4-amino-2-chlorophenyl)-(4-fluoro-2-methylphenyl)methanone is Cc1cc(F)ccc1C(=O)c1ccc(N)cc1Cl.
What is the InChIKey of (4-amino-2-chlorophenyl)-(4-fluoro-2-methylphenyl)methanone?
The InChIKey is PTFQDUQPDDCGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO/c1-8-6-9(16)2-4-11(8)14(18)12-5-3-10(17)7-13(12)15/h2-7H,17H2,1H3.
What are the key properties of (4-amino-2-chlorophenyl)-(4-fluoro-2-methylphenyl)methanone?
(4-amino-2-chlorophenyl)-(4-fluoro-2-methylphenyl)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 (4-amino-2-chlorophenyl)-(4-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 18618724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).