(3-amino-2,5-difluorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone

C14H9Cl2F2NO2 — CID 107123750

IUPAC(3-amino-2,5-difluorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
SMILESCOc1cc(Cl)c(C(=O)c2cc(F)cc(N)c2F)cc1Cl
InChIInChI=1S/C14H9Cl2F2NO2/c1-21-12-5-9(15)7(4-10(12)16)14(20)8-2-6(17)3-11(19)13(8)18/h2-5H,19H2,1H3
InChIKeyVNGHNXLEUFOVKW-UHFFFAOYSA-N
MW332.13 g/mol
LogP4.09
Rot. Bonds3

About (3-amino-2,5-difluorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone

(3-amino-2,5-difluorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone (PubChem CID 107123750) has the molecular formula C14H9Cl2F2NO2 and a molecular weight of 332.13 g/mol. Its IUPAC name is (3-amino-2,5-difluorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-2,5-difluorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
PubChem CID107123750
Molecular FormulaC14H9Cl2F2NO2
Molecular Weight332.13 g/mol
Exact Mass331.00
IUPAC Name(3-amino-2,5-difluorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
SMILESCOc1cc(Cl)c(C(=O)c2cc(F)cc(N)c2F)cc1Cl
InChIInChI=1S/C14H9Cl2F2NO2/c1-21-12-5-9(15)7(4-10(12)16)14(20)8-2-6(17)3-11(19)13(8)18/h2-5H,19H2,1H3
InChIKeyVNGHNXLEUFOVKW-UHFFFAOYSA-N
XLogP4.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.13
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone
CID 43162222
(4-amino-3-methoxyphenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
CID 104785092
(2-chloro-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81481073
(2-chloro-4,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanone
CID 62649157
(2-amino-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319706
(2-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanone
CID 62946338
(2-chloro-4,5-dimethoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107959921
1-(2,5-dichloro-4-methoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-one
CID 114038014
(2-amino-5-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 90097176
(2-chloro-4,5-dimethoxyphenyl)-(4-chloro-3-fluorophenyl)methanone
CID 107998262
3-amino-N-(3-bromo-4-methoxyphenyl)-2,5-difluorobenzamide
CID 107121176
2-chloro-1-(2,4-dichloro-5-methoxyphenyl)propan-1-one
CID 130136829

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,5-difluorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone?
The IUPAC name of (3-amino-2,5-difluorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone (CID 107123750) is (3-amino-2,5-difluorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone.
What is the SMILES notation for (3-amino-2,5-difluorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone?
The canonical SMILES for (3-amino-2,5-difluorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone is COc1cc(Cl)c(C(=O)c2cc(F)cc(N)c2F)cc1Cl.
What is the InChIKey of (3-amino-2,5-difluorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone?
The InChIKey is VNGHNXLEUFOVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F2NO2/c1-21-12-5-9(15)7(4-10(12)16)14(20)8-2-6(17)3-11(19)13(8)18/h2-5H,19H2,1H3.
What are the key properties of (3-amino-2,5-difluorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone?
(3-amino-2,5-difluorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone has a molecular weight of 332.13 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,5-difluorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone is sourced from PubChem (CID 107123750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).