(3-amino-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone

C14H11ClINO2 — CID 112580769

IUPAC(3-amino-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone
SMILESCOc1ccc(I)cc1C(=O)c1cccc(N)c1Cl
InChIInChI=1S/C14H11ClINO2/c1-19-12-6-5-8(16)7-10(12)14(18)9-3-2-4-11(17)13(9)15/h2-7H,17H2,1H3
InChIKeyDJKOFEBAFPDSGV-UHFFFAOYSA-N
MW387.60 g/mol
LogP3.77
Rot. Bonds3

About (3-amino-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone

(3-amino-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone (PubChem CID 112580769) has the molecular formula C14H11ClINO2 and a molecular weight of 387.60 g/mol. Its IUPAC name is (3-amino-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone
PubChem CID112580769
Molecular FormulaC14H11ClINO2
Molecular Weight387.60 g/mol
Exact Mass386.95
IUPAC Name(3-amino-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone
SMILESCOc1ccc(I)cc1C(=O)c1cccc(N)c1Cl
InChIInChI=1S/C14H11ClINO2/c1-19-12-6-5-8(16)7-10(12)14(18)9-3-2-4-11(17)13(9)15/h2-7H,17H2,1H3
InChIKeyDJKOFEBAFPDSGV-UHFFFAOYSA-N
XLogP3.77
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.60
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 112580781
(3-bromo-2-fluorophenyl)-(5-iodo-2-methoxyphenyl)methanone
CID 114019718
(5-iodo-2-methoxyphenyl)-phenylmethanone
CID 43161664
(5-chloro-2-methoxyphenyl)-(2,3-dichlorophenyl)methanone
CID 86028415
(5-iodo-2-methoxyphenyl)-(4-iodophenyl)methanone
CID 43339710
(4-bromo-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone
CID 43805097
(3-amino-2-chlorophenyl)-(2-bromo-4-methoxyphenyl)methanone
CID 112580783
(2-chloro-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 112694005
(3-amino-2-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 112580779
(5-chloro-2-methoxyphenyl)-(2-iodo-3-methylphenyl)methanone
CID 114029899
(3-chlorothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 80643991
(3-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanone
CID 105056365

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone?
The IUPAC name of (3-amino-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone (CID 112580769) is (3-amino-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone.
What is the SMILES notation for (3-amino-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone?
The canonical SMILES for (3-amino-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone is COc1ccc(I)cc1C(=O)c1cccc(N)c1Cl.
What is the InChIKey of (3-amino-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone?
The InChIKey is DJKOFEBAFPDSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClINO2/c1-19-12-6-5-8(16)7-10(12)14(18)9-3-2-4-11(17)13(9)15/h2-7H,17H2,1H3.
What are the key properties of (3-amino-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone?
(3-amino-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone has a molecular weight of 387.60 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone is sourced from PubChem (CID 112580769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).