1-(2-amino-4-chlorophenyl)-2-(3,5-difluorophenyl)ethanone

C14H10ClF2NO — CID 105405269

IUPAC1-(2-amino-4-chlorophenyl)-2-(3,5-difluorophenyl)ethanone
SMILESNc1cc(Cl)ccc1C(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C14H10ClF2NO/c15-9-1-2-12(13(18)6-9)14(19)5-8-3-10(16)7-11(17)4-8/h1-4,6-7H,5,18H2
InChIKeyWQFBXRZRWOTSQF-UHFFFAOYSA-N
MW281.69 g/mol
LogP3.63
Rot. Bonds3

About 1-(2-amino-4-chlorophenyl)-2-(3,5-difluorophenyl)ethanone

1-(2-amino-4-chlorophenyl)-2-(3,5-difluorophenyl)ethanone (PubChem CID 105405269) has the molecular formula C14H10ClF2NO and a molecular weight of 281.69 g/mol. Its IUPAC name is 1-(2-amino-4-chlorophenyl)-2-(3,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-4-chlorophenyl)-2-(3,5-difluorophenyl)ethanone
PubChem CID105405269
Molecular FormulaC14H10ClF2NO
Molecular Weight281.69 g/mol
Exact Mass281.04
IUPAC Name1-(2-amino-4-chlorophenyl)-2-(3,5-difluorophenyl)ethanone
SMILESNc1cc(Cl)ccc1C(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C14H10ClF2NO/c15-9-1-2-12(13(18)6-9)14(19)5-8-3-10(16)7-11(17)4-8/h1-4,6-7H,5,18H2
InChIKeyWQFBXRZRWOTSQF-UHFFFAOYSA-N
XLogP3.63
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.69
LogP ≤ 53.63
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

1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 115736507
1-(2,5-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 62789590
1-(2-amino-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 64915581
2-(3,5-difluorophenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 62964616
2-(3-bromo-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone
CID 79702795
1-(2-amino-4-chlorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 64914010
2-amino-4-chloro-N-(3,5-difluorophenyl)benzamide
CID 16783519
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 106761722
bis(2-amino-4-chlorophenyl)methanone
CID 15130044
1-(4-amino-3,5-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 105412077
1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-one
CID 64914807
1-(2-amino-4-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 64915978

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-chlorophenyl)-2-(3,5-difluorophenyl)ethanone?
The IUPAC name of 1-(2-amino-4-chlorophenyl)-2-(3,5-difluorophenyl)ethanone (CID 105405269) is 1-(2-amino-4-chlorophenyl)-2-(3,5-difluorophenyl)ethanone.
What is the SMILES notation for 1-(2-amino-4-chlorophenyl)-2-(3,5-difluorophenyl)ethanone?
The canonical SMILES for 1-(2-amino-4-chlorophenyl)-2-(3,5-difluorophenyl)ethanone is Nc1cc(Cl)ccc1C(=O)Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-(2-amino-4-chlorophenyl)-2-(3,5-difluorophenyl)ethanone?
The InChIKey is WQFBXRZRWOTSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NO/c15-9-1-2-12(13(18)6-9)14(19)5-8-3-10(16)7-11(17)4-8/h1-4,6-7H,5,18H2.
What are the key properties of 1-(2-amino-4-chlorophenyl)-2-(3,5-difluorophenyl)ethanone?
1-(2-amino-4-chlorophenyl)-2-(3,5-difluorophenyl)ethanone has a molecular weight of 281.69 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-chlorophenyl)-2-(3,5-difluorophenyl)ethanone is sourced from PubChem (CID 105405269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).