[4-(2-aminoanilino)-2-chlorophenyl]-[2-methyl-5-(2-trimethylsilylethynyl)phenyl]methanone

C25H25ClN2OSi — CID 67314508

IUPAC[4-(2-aminoanilino)-2-chlorophenyl]-[2-methyl-5-(2-trimethylsilylethynyl)phenyl]methanone
SMILESCc1ccc(C#C[Si](C)(C)C)cc1C(=O)c1ccc(Nc2ccccc2N)cc1Cl
InChIInChI=1S/C25H25ClN2OSi/c1-17-9-10-18(13-14-30(2,3)4)15-21(17)25(29)20-12-11-19(16-22(20)26)28-24-8-6-5-7-23(24)27/h5-12,15-16,28H,27H2,1-4H3
InChIKeyRILGMBMHXWQETN-UHFFFAOYSA-N
MW433.03 g/mol
LogP6.43
Rot. Bonds4

About [4-(2-aminoanilino)-2-chlorophenyl]-[2-methyl-5-(2-trimethylsilylethynyl)phenyl]methanone

[4-(2-aminoanilino)-2-chlorophenyl]-[2-methyl-5-(2-trimethylsilylethynyl)phenyl]methanone (PubChem CID 67314508) has the molecular formula C25H25ClN2OSi and a molecular weight of 433.03 g/mol. Its IUPAC name is [4-(2-aminoanilino)-2-chlorophenyl]-[2-methyl-5-(2-trimethylsilylethynyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(2-aminoanilino)-2-chlorophenyl]-[2-methyl-5-(2-trimethylsilylethynyl)phenyl]methanone
PubChem CID67314508
Molecular FormulaC25H25ClN2OSi
Molecular Weight433.03 g/mol
Exact Mass432.14
IUPAC Name[4-(2-aminoanilino)-2-chlorophenyl]-[2-methyl-5-(2-trimethylsilylethynyl)phenyl]methanone
SMILESCc1ccc(C#C[Si](C)(C)C)cc1C(=O)c1ccc(Nc2ccccc2N)cc1Cl
InChIInChI=1S/C25H25ClN2OSi/c1-17-9-10-18(13-14-30(2,3)4)15-21(17)25(29)20-12-11-19(16-22(20)26)28-24-8-6-5-7-23(24)27/h5-12,15-16,28H,27H2,1-4H3
InChIKeyRILGMBMHXWQETN-UHFFFAOYSA-N
XLogP6.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.03
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-amino-5-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone
CID 22480519
[4-(2-aminoanilino)-2-chlorophenyl]-[2-(trifluoromethyl)phenyl]methanone
CID 15895830
ethyl 2-[3-chloro-4-(2-methylbenzoyl)anilino]benzoate
CID 10178711
[2-chloro-4-[2-(difluoromethyl)anilino]phenyl]-(2-methylphenyl)methanone
CID 22174560
2-amino-N-(4-chlorophenyl)-5-(2-trimethylsilylethynyl)benzamide
CID 59020997
[4-(2-aminoanilino)-2-chlorophenyl]-[2-methyl-5-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]phenyl]methanone
CID 11785901
[4-(2-aminoanilino)phenyl]-(2-chlorophenyl)methanone
CID 18358121
[2-chloro-4-(2-methylanilino)phenyl]-(3-chloro-5-methylthiophen-2-yl)methanone
CID 10292905
3-[2-chloro-4-(3-fluoro-2-methylanilino)benzoyl]-4-methylbenzoic acid
CID 58677585
3-[2-chloro-4-(3-fluoro-2-methylanilino)benzoyl]-4-methylbenzoyl chloride
CID 87352464
1-tert-butyl-3-[2-[3-chloro-4-(2-methylbenzoyl)anilino]phenyl]urea
CID 12992830
[4-(2-aminoanilino)phenyl]-(2-methylphenyl)methanone
CID 11324104

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoanilino)-2-chlorophenyl]-[2-methyl-5-(2-trimethylsilylethynyl)phenyl]methanone?
The IUPAC name of [4-(2-aminoanilino)-2-chlorophenyl]-[2-methyl-5-(2-trimethylsilylethynyl)phenyl]methanone (CID 67314508) is [4-(2-aminoanilino)-2-chlorophenyl]-[2-methyl-5-(2-trimethylsilylethynyl)phenyl]methanone.
What is the SMILES notation for [4-(2-aminoanilino)-2-chlorophenyl]-[2-methyl-5-(2-trimethylsilylethynyl)phenyl]methanone?
The canonical SMILES for [4-(2-aminoanilino)-2-chlorophenyl]-[2-methyl-5-(2-trimethylsilylethynyl)phenyl]methanone is Cc1ccc(C#C[Si](C)(C)C)cc1C(=O)c1ccc(Nc2ccccc2N)cc1Cl.
What is the InChIKey of [4-(2-aminoanilino)-2-chlorophenyl]-[2-methyl-5-(2-trimethylsilylethynyl)phenyl]methanone?
The InChIKey is RILGMBMHXWQETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2OSi/c1-17-9-10-18(13-14-30(2,3)4)15-21(17)25(29)20-12-11-19(16-22(20)26)28-24-8-6-5-7-23(24)27/h5-12,15-16,28H,27H2,1-4H3.
What are the key properties of [4-(2-aminoanilino)-2-chlorophenyl]-[2-methyl-5-(2-trimethylsilylethynyl)phenyl]methanone?
[4-(2-aminoanilino)-2-chlorophenyl]-[2-methyl-5-(2-trimethylsilylethynyl)phenyl]methanone has a molecular weight of 433.03 g/mol, XLogP of 6.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoanilino)-2-chlorophenyl]-[2-methyl-5-(2-trimethylsilylethynyl)phenyl]methanone is sourced from PubChem (CID 67314508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).