(3-aminophenyl)-(4-chloro-2-fluoro-5-methylphenyl)methanone

C14H11ClFNO — CID 10515712

IUPAC(3-aminophenyl)-(4-chloro-2-fluoro-5-methylphenyl)methanone
SMILESCc1cc(C(=O)c2cccc(N)c2)c(F)cc1Cl
InChIInChI=1S/C14H11ClFNO/c1-8-5-11(13(16)7-12(8)15)14(18)9-3-2-4-10(17)6-9/h2-7H,17H2,1H3
InChIKeyJIERFNKABUOKTB-UHFFFAOYSA-N
MW263.70 g/mol
LogP3.60
Rot. Bonds2

About (3-aminophenyl)-(4-chloro-2-fluoro-5-methylphenyl)methanone

(3-aminophenyl)-(4-chloro-2-fluoro-5-methylphenyl)methanone (PubChem CID 10515712) has the molecular formula C14H11ClFNO and a molecular weight of 263.70 g/mol. Its IUPAC name is (3-aminophenyl)-(4-chloro-2-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(3-aminophenyl)-(4-chloro-2-fluoro-5-methylphenyl)methanone
PubChem CID10515712
Molecular FormulaC14H11ClFNO
Molecular Weight263.70 g/mol
Exact Mass263.05
IUPAC Name(3-aminophenyl)-(4-chloro-2-fluoro-5-methylphenyl)methanone
SMILESCc1cc(C(=O)c2cccc(N)c2)c(F)cc1Cl
InChIInChI=1S/C14H11ClFNO/c1-8-5-11(13(16)7-12(8)15)14(18)9-3-2-4-10(17)6-9/h2-7H,17H2,1H3
InChIKeyJIERFNKABUOKTB-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

(3-aminophenyl)-(2-chloro-5-fluoro-4-methylphenyl)methanone
CID 116917275
(3-aminophenyl)-(5-chloro-2-methoxy-4-methylphenyl)methanone
CID 82265129
(3-aminophenyl)-(2-fluoro-5-hydroxyphenyl)methanone
CID 10585593
(3-aminophenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 116548682
(4-amino-3-methylphenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 82773780
(3-aminophenyl)-(2,3-dichlorophenyl)methanone
CID 116548558
(5-amino-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736594
(3-amino-2-chlorophenyl)-(3-aminophenyl)methanone
CID 86124935
(4-amino-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 82787494
(3-aminophenyl)-(3-chlorophenyl)methanone
CID 82115907
(2-chloro-3-fluorophenyl)-(4-chloro-3-methylphenyl)methanone
CID 146005889
2-amino-1-(4-chloro-2-fluoro-5-methylphenyl)ethanone
CID 130953142

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(4-chloro-2-fluoro-5-methylphenyl)methanone?
The IUPAC name of (3-aminophenyl)-(4-chloro-2-fluoro-5-methylphenyl)methanone (CID 10515712) is (3-aminophenyl)-(4-chloro-2-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for (3-aminophenyl)-(4-chloro-2-fluoro-5-methylphenyl)methanone?
The canonical SMILES for (3-aminophenyl)-(4-chloro-2-fluoro-5-methylphenyl)methanone is Cc1cc(C(=O)c2cccc(N)c2)c(F)cc1Cl.
What is the InChIKey of (3-aminophenyl)-(4-chloro-2-fluoro-5-methylphenyl)methanone?
The InChIKey is JIERFNKABUOKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO/c1-8-5-11(13(16)7-12(8)15)14(18)9-3-2-4-10(17)6-9/h2-7H,17H2,1H3.
What are the key properties of (3-aminophenyl)-(4-chloro-2-fluoro-5-methylphenyl)methanone?
(3-aminophenyl)-(4-chloro-2-fluoro-5-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 (3-aminophenyl)-(4-chloro-2-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 10515712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).