(5-amino-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone

C14H11ClFNO — CID 79736594

IUPAC(5-amino-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)c2cc(N)ccc2Cl)ccc1F
InChIInChI=1S/C14H11ClFNO/c1-8-6-9(2-5-13(8)16)14(18)11-7-10(17)3-4-12(11)15/h2-7H,17H2,1H3
InChIKeyRZTDDSFNBDFXGG-UHFFFAOYSA-N
MW263.70 g/mol
LogP3.60
Rot. Bonds2

About (5-amino-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone

(5-amino-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone (PubChem CID 79736594) has the molecular formula C14H11ClFNO and a molecular weight of 263.70 g/mol. Its IUPAC name is (5-amino-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(5-amino-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone
PubChem CID79736594
Molecular FormulaC14H11ClFNO
Molecular Weight263.70 g/mol
Exact Mass263.05
IUPAC Name(5-amino-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)c2cc(N)ccc2Cl)ccc1F
InChIInChI=1S/C14H11ClFNO/c1-8-6-9(2-5-13(8)16)14(18)11-7-10(17)3-4-12(11)15/h2-7H,17H2,1H3
InChIKeyRZTDDSFNBDFXGG-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-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736289
(2-chloro-4-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63210027
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 62802416
(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338246
(4-amino-3-methylphenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 82773780
(3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 114019742
(5-amino-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanone
CID 116605281
(5-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methanone
CID 43339976
(4-bromo-3-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 106761714
(3-bromo-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 113402904
(3-aminophenyl)-(4-chloro-2-fluoro-5-methylphenyl)methanone
CID 10515712

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone?
The IUPAC name of (5-amino-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone (CID 79736594) is (5-amino-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for (5-amino-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone?
The canonical SMILES for (5-amino-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone is Cc1cc(C(=O)c2cc(N)ccc2Cl)ccc1F.
What is the InChIKey of (5-amino-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone?
The InChIKey is RZTDDSFNBDFXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO/c1-8-6-9(2-5-13(8)16)14(18)11-7-10(17)3-4-12(11)15/h2-7H,17H2,1H3.
What are the key properties of (5-amino-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone?
(5-amino-2-chlorophenyl)-(4-fluoro-3-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 (5-amino-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 79736594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).