(3-amino-2,6-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanone

C14H10ClF2NO2 — CID 79773205

IUPAC(3-amino-2,6-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(F)ccc(N)c2F)cc1Cl
InChIInChI=1S/C14H10ClF2NO2/c1-20-11-5-2-7(6-8(11)15)14(19)12-9(16)3-4-10(18)13(12)17/h2-6H,18H2,1H3
InChIKeyNVVCNSFBEIVJRN-UHFFFAOYSA-N
MW297.69 g/mol
LogP3.44
Rot. Bonds3

About (3-amino-2,6-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanone

(3-amino-2,6-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanone (PubChem CID 79773205) has the molecular formula C14H10ClF2NO2 and a molecular weight of 297.69 g/mol. Its IUPAC name is (3-amino-2,6-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-2,6-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanone
PubChem CID79773205
Molecular FormulaC14H10ClF2NO2
Molecular Weight297.69 g/mol
Exact Mass297.04
IUPAC Name(3-amino-2,6-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(F)ccc(N)c2F)cc1Cl
InChIInChI=1S/C14H10ClF2NO2/c1-20-11-5-2-7(6-8(11)15)14(19)12-9(16)3-4-10(18)13(12)17/h2-6H,18H2,1H3
InChIKeyNVVCNSFBEIVJRN-UHFFFAOYSA-N
XLogP3.44
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.69
LogP ≤ 53.44
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

(3-chloro-4-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 79749846
(2-amino-6-methoxyphenyl)-(3-chloro-4-methoxyphenyl)methanone
CID 81414308
(3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43161713
(5-amino-2,3-dichlorophenyl)-(3-chloro-4-methoxyphenyl)methanone
CID 107201379
(3-chloro-4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106679955
(2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115794384
(2,6-difluoro-3-methylphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 115794368
(3-chloro-4-methylphenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 113241963
(2-chloro-6-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474062
(4-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 2757552
(4-amino-3-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone
CID 103396687
(4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone
CID 79697438

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,6-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanone?
The IUPAC name of (3-amino-2,6-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanone (CID 79773205) is (3-amino-2,6-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanone.
What is the SMILES notation for (3-amino-2,6-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanone?
The canonical SMILES for (3-amino-2,6-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanone is COc1ccc(C(=O)c2c(F)ccc(N)c2F)cc1Cl.
What is the InChIKey of (3-amino-2,6-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanone?
The InChIKey is NVVCNSFBEIVJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NO2/c1-20-11-5-2-7(6-8(11)15)14(19)12-9(16)3-4-10(18)13(12)17/h2-6H,18H2,1H3.
What are the key properties of (3-amino-2,6-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanone?
(3-amino-2,6-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanone has a molecular weight of 297.69 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,6-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanone is sourced from PubChem (CID 79773205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).