(5-amino-2,3-dichlorophenyl)-(3-chloro-4-methoxyphenyl)methanone

C14H10Cl3NO2 — CID 107201379

IUPAC(5-amino-2,3-dichlorophenyl)-(3-chloro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(N)cc(Cl)c2Cl)cc1Cl
InChIInChI=1S/C14H10Cl3NO2/c1-20-12-3-2-7(4-10(12)15)14(19)9-5-8(18)6-11(16)13(9)17/h2-6H,18H2,1H3
InChIKeyKGMZCJVXZOXXQD-UHFFFAOYSA-N
MW330.60 g/mol
LogP4.47
Rot. Bonds3

About (5-amino-2,3-dichlorophenyl)-(3-chloro-4-methoxyphenyl)methanone

(5-amino-2,3-dichlorophenyl)-(3-chloro-4-methoxyphenyl)methanone (PubChem CID 107201379) has the molecular formula C14H10Cl3NO2 and a molecular weight of 330.60 g/mol. Its IUPAC name is (5-amino-2,3-dichlorophenyl)-(3-chloro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-amino-2,3-dichlorophenyl)-(3-chloro-4-methoxyphenyl)methanone
PubChem CID107201379
Molecular FormulaC14H10Cl3NO2
Molecular Weight330.60 g/mol
Exact Mass328.98
IUPAC Name(5-amino-2,3-dichlorophenyl)-(3-chloro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(N)cc(Cl)c2Cl)cc1Cl
InChIInChI=1S/C14H10Cl3NO2/c1-20-12-3-2-7(4-10(12)15)14(19)9-5-8(18)6-11(16)13(9)17/h2-6H,18H2,1H3
InChIKeyKGMZCJVXZOXXQD-UHFFFAOYSA-N
XLogP4.47
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.60
LogP ≤ 54.47
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

(5-amino-2,3-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 107201476
(3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43161713
(2-amino-6-methoxyphenyl)-(3-chloro-4-methoxyphenyl)methanone
CID 81414308
(3-amino-2,6-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanone
CID 79773205
(3-chloro-4-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 79749846
(3-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methanone
CID 43339771
(3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanone
CID 63048757
(4-amino-3-methoxyphenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
CID 104785092
2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249
(3,4-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 43625949
(3-bromo-4-methylphenyl)-(3-chloro-4-methoxyphenyl)methanone
CID 81471530
(3-chloro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127145

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,3-dichlorophenyl)-(3-chloro-4-methoxyphenyl)methanone?
The IUPAC name of (5-amino-2,3-dichlorophenyl)-(3-chloro-4-methoxyphenyl)methanone (CID 107201379) is (5-amino-2,3-dichlorophenyl)-(3-chloro-4-methoxyphenyl)methanone.
What is the SMILES notation for (5-amino-2,3-dichlorophenyl)-(3-chloro-4-methoxyphenyl)methanone?
The canonical SMILES for (5-amino-2,3-dichlorophenyl)-(3-chloro-4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cc(N)cc(Cl)c2Cl)cc1Cl.
What is the InChIKey of (5-amino-2,3-dichlorophenyl)-(3-chloro-4-methoxyphenyl)methanone?
The InChIKey is KGMZCJVXZOXXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3NO2/c1-20-12-3-2-7(4-10(12)15)14(19)9-5-8(18)6-11(16)13(9)17/h2-6H,18H2,1H3.
What are the key properties of (5-amino-2,3-dichlorophenyl)-(3-chloro-4-methoxyphenyl)methanone?
(5-amino-2,3-dichlorophenyl)-(3-chloro-4-methoxyphenyl)methanone has a molecular weight of 330.60 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,3-dichlorophenyl)-(3-chloro-4-methoxyphenyl)methanone is sourced from PubChem (CID 107201379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).