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

C14H10Cl2FNO — CID 112580817

IUPAC(3-amino-2-chlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
SMILESCc1cc(C(=O)c2cccc(N)c2Cl)c(Cl)cc1F
InChIInChI=1S/C14H10Cl2FNO/c1-7-5-9(10(15)6-11(7)17)14(19)8-3-2-4-12(18)13(8)16/h2-6H,18H2,1H3
InChIKeyHBWBHEJWXLZQIX-UHFFFAOYSA-N
MW298.14 g/mol
LogP4.25
Rot. Bonds2

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

(3-amino-2-chlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone (PubChem CID 112580817) has the molecular formula C14H10Cl2FNO and a molecular weight of 298.14 g/mol. Its IUPAC name is (3-amino-2-chlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-2-chlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
PubChem CID112580817
Molecular FormulaC14H10Cl2FNO
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name(3-amino-2-chlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
SMILESCc1cc(C(=O)c2cccc(N)c2Cl)c(Cl)cc1F
InChIInChI=1S/C14H10Cl2FNO/c1-7-5-9(10(15)6-11(7)17)14(19)8-3-2-4-12(18)13(8)16/h2-6H,18H2,1H3
InChIKeyHBWBHEJWXLZQIX-UHFFFAOYSA-N
XLogP4.25
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 54.25
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

(5-amino-2,4-difluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81050999
(3-amino-2-chlorophenyl)-(2,4,5-trifluorophenyl)methanone
CID 103304702
(2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone
CID 81045029
(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81045885
(3-amino-2-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 112580805
(3-amino-4,5-dichlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81050839
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 81045884
(2-chloro-4-fluoro-5-methylphenyl)-(2,6-dimethoxyphenyl)methanone
CID 81047587
(3-amino-2-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 112580779
(2-amino-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319706
(3-aminophenyl)-(2-chloro-5-fluoro-4-methylphenyl)methanone
CID 116917275
(2-amino-4,5-difluorophenyl)-(2-chloro-4,5-difluorophenyl)methanone
CID 107477775

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-chlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone?
The IUPAC name of (3-amino-2-chlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone (CID 112580817) is (3-amino-2-chlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for (3-amino-2-chlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone?
The canonical SMILES for (3-amino-2-chlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone is Cc1cc(C(=O)c2cccc(N)c2Cl)c(Cl)cc1F.
What is the InChIKey of (3-amino-2-chlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone?
The InChIKey is HBWBHEJWXLZQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FNO/c1-7-5-9(10(15)6-11(7)17)14(19)8-3-2-4-12(18)13(8)16/h2-6H,18H2,1H3.
What are the key properties of (3-amino-2-chlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone?
(3-amino-2-chlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone has a molecular weight of 298.14 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-chlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 112580817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).