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

C14H9Cl2F2NO — CID 105412077

IUPAC1-(4-amino-3,5-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
SMILESNc1c(Cl)cc(C(=O)Cc2cc(F)cc(F)c2)cc1Cl
InChIInChI=1S/C14H9Cl2F2NO/c15-11-4-8(5-12(16)14(11)19)13(20)3-7-1-9(17)6-10(18)2-7/h1-2,4-6H,3,19H2
InChIKeyVUVNCALGSVWCIE-UHFFFAOYSA-N
MW316.13 g/mol
LogP4.28
Rot. Bonds3

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

1-(4-amino-3,5-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone (PubChem CID 105412077) has the molecular formula C14H9Cl2F2NO and a molecular weight of 316.13 g/mol. Its IUPAC name is 1-(4-amino-3,5-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-amino-3,5-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
PubChem CID105412077
Molecular FormulaC14H9Cl2F2NO
Molecular Weight316.13 g/mol
Exact Mass315.00
IUPAC Name1-(4-amino-3,5-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
SMILESNc1c(Cl)cc(C(=O)Cc2cc(F)cc(F)c2)cc1Cl
InChIInChI=1S/C14H9Cl2F2NO/c15-11-4-8(5-12(16)14(11)19)13(20)3-7-1-9(17)6-10(18)2-7/h1-2,4-6H,3,19H2
InChIKeyVUVNCALGSVWCIE-UHFFFAOYSA-N
XLogP4.28
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.13
LogP ≤ 54.28
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-(4-amino-3,5-dichlorophenyl)-2-(3-fluorophenyl)ethanone
CID 116609736
1-(3,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 63409918
1-(4-amino-3,5-dichlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanone
CID 103052464
1-(3-chloro-5-methylphenyl)-2-(3,5-difluorophenyl)ethanone
CID 105412246
1-(4-amino-3,5-dichlorophenyl)-2-(2,3-difluorophenyl)ethanone
CID 116609973
1-(2,5-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 62789590
1-(2-amino-4-chlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 105405269
1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 115736507
1-(4-amino-3,5-dichlorophenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116609810
2-(3,5-difluorophenyl)-1-(5-methylfuran-3-yl)ethanone
CID 105412231
4-amino-3,5-dichloro-N-[(3-fluorophenyl)methyl]benzamide
CID 82795367
1-[2-(aminomethyl)-4-pyridinyl]-2-(3,5-difluorophenyl)ethanone
CID 105412051

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone?
The IUPAC name of 1-(4-amino-3,5-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone (CID 105412077) is 1-(4-amino-3,5-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone.
What is the SMILES notation for 1-(4-amino-3,5-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone?
The canonical SMILES for 1-(4-amino-3,5-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone is Nc1c(Cl)cc(C(=O)Cc2cc(F)cc(F)c2)cc1Cl.
What is the InChIKey of 1-(4-amino-3,5-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone?
The InChIKey is VUVNCALGSVWCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F2NO/c15-11-4-8(5-12(16)14(11)19)13(20)3-7-1-9(17)6-10(18)2-7/h1-2,4-6H,3,19H2.
What are the key properties of 1-(4-amino-3,5-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone?
1-(4-amino-3,5-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone has a molecular weight of 316.13 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone is sourced from PubChem (CID 105412077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).