(4-amino-3-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanone

C13H7Cl2F2NO — CID 107477758

IUPAC(4-amino-3-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanone
SMILESNc1ccc(C(=O)c2cc(F)c(F)cc2Cl)cc1Cl
InChIInChI=1S/C13H7Cl2F2NO/c14-8-5-11(17)10(16)4-7(8)13(19)6-1-2-12(18)9(15)3-6/h1-5H,18H2
InChIKeyGOUZDJOQYVHVMI-UHFFFAOYSA-N
MW302.11 g/mol
LogP4.08
Rot. Bonds2

About (4-amino-3-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanone

(4-amino-3-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanone (PubChem CID 107477758) has the molecular formula C13H7Cl2F2NO and a molecular weight of 302.11 g/mol. Its IUPAC name is (4-amino-3-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanone.

Molecular Properties

Compound Name(4-amino-3-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanone
PubChem CID107477758
Molecular FormulaC13H7Cl2F2NO
Molecular Weight302.11 g/mol
Exact Mass300.99
IUPAC Name(4-amino-3-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanone
SMILESNc1ccc(C(=O)c2cc(F)c(F)cc2Cl)cc1Cl
InChIInChI=1S/C13H7Cl2F2NO/c14-8-5-11(17)10(16)4-7(8)13(19)6-1-2-12(18)9(15)3-6/h1-5H,18H2
InChIKeyGOUZDJOQYVHVMI-UHFFFAOYSA-N
XLogP4.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.11
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone
CID 107475645
(2-chloro-4,5-difluorophenyl)-(3,5-diaminophenyl)methanone
CID 107477770
(2-amino-4,5-difluorophenyl)-(2-chloro-4,5-difluorophenyl)methanone
CID 107477775
(4-amino-3-methylphenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 82773780
(4-amino-3-chlorophenyl)-(2-bromo-4-chlorophenyl)methanone
CID 107994531
(3,4-dichlorophenyl)-(2,4,5-trifluorophenyl)methanone
CID 113254913
(4-amino-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 82787494
(4-amino-3-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 104785073
(4-amino-3-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone
CID 103396687
(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338246
(2,4-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338229
(2-chloro-4,5-difluorophenyl)-(5-chloro-2-fluorophenyl)methanone
CID 107475826

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanone?
The IUPAC name of (4-amino-3-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanone (CID 107477758) is (4-amino-3-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanone.
What is the SMILES notation for (4-amino-3-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanone?
The canonical SMILES for (4-amino-3-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanone is Nc1ccc(C(=O)c2cc(F)c(F)cc2Cl)cc1Cl.
What is the InChIKey of (4-amino-3-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanone?
The InChIKey is GOUZDJOQYVHVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F2NO/c14-8-5-11(17)10(16)4-7(8)13(19)6-1-2-12(18)9(15)3-6/h1-5H,18H2.
What are the key properties of (4-amino-3-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanone?
(4-amino-3-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanone has a molecular weight of 302.11 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanone is sourced from PubChem (CID 107477758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).