(2-amino-4,5-difluorophenyl)-(2-chloro-4,5-difluorophenyl)methanone

C13H6ClF4NO — CID 107477775

IUPAC(2-amino-4,5-difluorophenyl)-(2-chloro-4,5-difluorophenyl)methanone
SMILESNc1cc(F)c(F)cc1C(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C13H6ClF4NO/c14-7-3-10(17)8(15)1-5(7)13(20)6-2-9(16)11(18)4-12(6)19/h1-4H,19H2
InChIKeyWFNLFGWBWIXSMK-UHFFFAOYSA-N
MW303.64 g/mol
LogP3.71
Rot. Bonds2

About (2-amino-4,5-difluorophenyl)-(2-chloro-4,5-difluorophenyl)methanone

(2-amino-4,5-difluorophenyl)-(2-chloro-4,5-difluorophenyl)methanone (PubChem CID 107477775) has the molecular formula C13H6ClF4NO and a molecular weight of 303.64 g/mol. Its IUPAC name is (2-amino-4,5-difluorophenyl)-(2-chloro-4,5-difluorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-4,5-difluorophenyl)-(2-chloro-4,5-difluorophenyl)methanone
PubChem CID107477775
Molecular FormulaC13H6ClF4NO
Molecular Weight303.64 g/mol
Exact Mass303.01
IUPAC Name(2-amino-4,5-difluorophenyl)-(2-chloro-4,5-difluorophenyl)methanone
SMILESNc1cc(F)c(F)cc1C(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C13H6ClF4NO/c14-7-3-10(17)8(15)1-5(7)13(20)6-2-9(16)11(18)4-12(6)19/h1-4H,19H2
InChIKeyWFNLFGWBWIXSMK-UHFFFAOYSA-N
XLogP3.71
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.64
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze (2-amino-4,5-difluorophenyl)-(2-chloro-4,5-difluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chloro-4,5-difluorophenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 107475698
(2-chloro-4,5-difluorophenyl)-(3,5-diaminophenyl)methanone
CID 107477770
(4-amino-3-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanone
CID 107477758
(2-chloro-4,5-difluorophenyl)-(5-chloro-2-fluorophenyl)methanone
CID 107475826
(2-chloro-4,5-difluorophenyl)-(2,3-difluorophenyl)methanone
CID 107475712
(2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone
CID 107475645
2-amino-4,5-difluorobenzamide
CID 16640510
(3-amino-2-chlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 112580817
(5-amino-2,4-difluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81050999
(2-chloro-4,5-difluorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 107475658
2-chloro-4,5-difluorobenzoic acid;hydrochloride
CID 67860765
(3-amino-2-chlorophenyl)-(2,4,5-trifluorophenyl)methanone
CID 103304702

Frequently Asked Questions

What is the IUPAC name of (2-amino-4,5-difluorophenyl)-(2-chloro-4,5-difluorophenyl)methanone?
The IUPAC name of (2-amino-4,5-difluorophenyl)-(2-chloro-4,5-difluorophenyl)methanone (CID 107477775) is (2-amino-4,5-difluorophenyl)-(2-chloro-4,5-difluorophenyl)methanone.
What is the SMILES notation for (2-amino-4,5-difluorophenyl)-(2-chloro-4,5-difluorophenyl)methanone?
The canonical SMILES for (2-amino-4,5-difluorophenyl)-(2-chloro-4,5-difluorophenyl)methanone is Nc1cc(F)c(F)cc1C(=O)c1cc(F)c(F)cc1Cl.
What is the InChIKey of (2-amino-4,5-difluorophenyl)-(2-chloro-4,5-difluorophenyl)methanone?
The InChIKey is WFNLFGWBWIXSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF4NO/c14-7-3-10(17)8(15)1-5(7)13(20)6-2-9(16)11(18)4-12(6)19/h1-4H,19H2.
What are the key properties of (2-amino-4,5-difluorophenyl)-(2-chloro-4,5-difluorophenyl)methanone?
(2-amino-4,5-difluorophenyl)-(2-chloro-4,5-difluorophenyl)methanone has a molecular weight of 303.64 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4,5-difluorophenyl)-(2-chloro-4,5-difluorophenyl)methanone is sourced from PubChem (CID 107477775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).