[4-(2-aminoanilino)-2-chlorophenyl]-(2-methoxyphenyl)methanone

C20H17ClN2O2 — CID 11348753

IUPAC[4-(2-aminoanilino)-2-chlorophenyl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1ccc(Nc2ccccc2N)cc1Cl
InChIInChI=1S/C20H17ClN2O2/c1-25-19-9-5-2-6-15(19)20(24)14-11-10-13(12-16(14)21)23-18-8-4-3-7-17(18)22/h2-12,23H,22H2,1H3
InChIKeyAQXKGSIGOIIUJI-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.91
Rot. Bonds5

About [4-(2-aminoanilino)-2-chlorophenyl]-(2-methoxyphenyl)methanone

[4-(2-aminoanilino)-2-chlorophenyl]-(2-methoxyphenyl)methanone (PubChem CID 11348753) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is [4-(2-aminoanilino)-2-chlorophenyl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2-aminoanilino)-2-chlorophenyl]-(2-methoxyphenyl)methanone
PubChem CID11348753
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name[4-(2-aminoanilino)-2-chlorophenyl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1ccc(Nc2ccccc2N)cc1Cl
InChIInChI=1S/C20H17ClN2O2/c1-25-19-9-5-2-6-15(19)20(24)14-11-10-13(12-16(14)21)23-18-8-4-3-7-17(18)22/h2-12,23H,22H2,1H3
InChIKeyAQXKGSIGOIIUJI-UHFFFAOYSA-N
XLogP4.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoanilino)-2-chlorophenyl]-(2-methoxyphenyl)methanone?
The IUPAC name of [4-(2-aminoanilino)-2-chlorophenyl]-(2-methoxyphenyl)methanone (CID 11348753) is [4-(2-aminoanilino)-2-chlorophenyl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [4-(2-aminoanilino)-2-chlorophenyl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [4-(2-aminoanilino)-2-chlorophenyl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)c1ccc(Nc2ccccc2N)cc1Cl.
What is the InChIKey of [4-(2-aminoanilino)-2-chlorophenyl]-(2-methoxyphenyl)methanone?
The InChIKey is AQXKGSIGOIIUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c1-25-19-9-5-2-6-15(19)20(24)14-11-10-13(12-16(14)21)23-18-8-4-3-7-17(18)22/h2-12,23H,22H2,1H3.
What are the key properties of [4-(2-aminoanilino)-2-chlorophenyl]-(2-methoxyphenyl)methanone?
[4-(2-aminoanilino)-2-chlorophenyl]-(2-methoxyphenyl)methanone has a molecular weight of 352.82 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoanilino)-2-chlorophenyl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 11348753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).