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

C14H12FNO — CID 13408102

IUPAC(2-amino-5-fluorophenyl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc(F)ccc2N)cc1
InChIInChI=1S/C14H12FNO/c1-9-2-4-10(5-3-9)14(17)12-8-11(15)6-7-13(12)16/h2-8H,16H2,1H3
InChIKeySJXFQYQCAFUCPR-UHFFFAOYSA-N
MW229.25 g/mol
LogP2.95
Rot. Bonds2

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

(2-amino-5-fluorophenyl)-(4-methylphenyl)methanone (PubChem CID 13408102) has the molecular formula C14H12FNO and a molecular weight of 229.25 g/mol. Its IUPAC name is (2-amino-5-fluorophenyl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-fluorophenyl)-(4-methylphenyl)methanone
PubChem CID13408102
Molecular FormulaC14H12FNO
Molecular Weight229.25 g/mol
Exact Mass229.09
IUPAC Name(2-amino-5-fluorophenyl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc(F)ccc2N)cc1
InChIInChI=1S/C14H12FNO/c1-9-2-4-10(5-3-9)14(17)12-8-11(15)6-7-13(12)16/h2-8H,16H2,1H3
InChIKeySJXFQYQCAFUCPR-UHFFFAOYSA-N
XLogP2.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 52.95
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-fluorophenyl)-(4-bromophenyl)methanone
CID 13408104
(2-amino-5-fluorophenyl)-(3,5-difluorophenyl)methanone
CID 82684855
(4-fluoro-2-methylphenyl)-(4-methylphenyl)methanone
CID 12739979
(2-amino-5-fluorophenyl)-(5-methyl-3-pyridinyl)methanone
CID 82685315
(2-amino-5-methylphenyl)-(3,5-difluorophenyl)methanone
CID 116581444
(2-amino-5-hydroxyphenyl)-(4-fluorophenyl)methanone
CID 105489008
(2-amino-5-fluorophenyl)-naphthalen-2-ylmethanone
CID 82685979
(2-amino-5-fluorophenyl)-(4-cyclobutylphenyl)methanone
CID 116505707
[4-fluoro-2-(sulfanylmethyl)phenyl]-(4-methylphenyl)methanone
CID 18779874
(2-amino-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319706
(4-aminophenyl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 95425026
(3-amino-5-fluoro-2,4-dihydroxyphenyl)-(4-methylphenyl)methanone
CID 88742758

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-fluorophenyl)-(4-methylphenyl)methanone?
The IUPAC name of (2-amino-5-fluorophenyl)-(4-methylphenyl)methanone (CID 13408102) is (2-amino-5-fluorophenyl)-(4-methylphenyl)methanone.
What is the SMILES notation for (2-amino-5-fluorophenyl)-(4-methylphenyl)methanone?
The canonical SMILES for (2-amino-5-fluorophenyl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2cc(F)ccc2N)cc1.
What is the InChIKey of (2-amino-5-fluorophenyl)-(4-methylphenyl)methanone?
The InChIKey is SJXFQYQCAFUCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO/c1-9-2-4-10(5-3-9)14(17)12-8-11(15)6-7-13(12)16/h2-8H,16H2,1H3.
What are the key properties of (2-amino-5-fluorophenyl)-(4-methylphenyl)methanone?
(2-amino-5-fluorophenyl)-(4-methylphenyl)methanone has a molecular weight of 229.25 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-fluorophenyl)-(4-methylphenyl)methanone is sourced from PubChem (CID 13408102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).