1-[2-amino-5-(2-chloro-4-methylanilino)phenyl]ethanone

C15H15ClN2O — CID 104612316

IUPAC1-[2-amino-5-(2-chloro-4-methylanilino)phenyl]ethanone
SMILESCC(=O)c1cc(Nc2ccc(C)cc2Cl)ccc1N
InChIInChI=1S/C15H15ClN2O/c1-9-3-6-15(13(16)7-9)18-11-4-5-14(17)12(8-11)10(2)19/h3-8,18H,17H2,1-2H3
InChIKeyWCASVGOQSIWBHJ-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.18
Rot. Bonds3

About 1-[2-amino-5-(2-chloro-4-methylanilino)phenyl]ethanone

1-[2-amino-5-(2-chloro-4-methylanilino)phenyl]ethanone (PubChem CID 104612316) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-[2-amino-5-(2-chloro-4-methylanilino)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-5-(2-chloro-4-methylanilino)phenyl]ethanone
PubChem CID104612316
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name1-[2-amino-5-(2-chloro-4-methylanilino)phenyl]ethanone
SMILESCC(=O)c1cc(Nc2ccc(C)cc2Cl)ccc1N
InChIInChI=1S/C15H15ClN2O/c1-9-3-6-15(13(16)7-9)18-11-4-5-14(17)12(8-11)10(2)19/h3-8,18H,17H2,1-2H3
InChIKeyWCASVGOQSIWBHJ-UHFFFAOYSA-N
XLogP4.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-amino-5-(3-chloro-4-fluoroanilino)phenyl]ethanone
CID 104612312
ethyl 2-amino-5-(2,4-dichloroanilino)benzoate
CID 63425547
methyl 2-amino-5-(2,4-dimethylanilino)benzoate
CID 61306539
1-[2-amino-5-(2-chloro-4-methylphenoxy)phenyl]ethanone
CID 104613311
1-[2-amino-5-(5-fluoro-2-methylanilino)phenyl]ethanone
CID 104612298
2-amino-5-(2-bromo-5-methylanilino)benzoic acid
CID 82766993
2-(3-acetyl-4-aminoanilino)-4-chlorobenzonitrile
CID 104612895
1-[2-amino-5-(2,5-difluoroanilino)phenyl]ethanone
CID 104612267
2-amino-5-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967454
1-[2-amino-4-(3,5-dimethylanilino)phenyl]ethanone
CID 104528323
1-[2-amino-5-(4-fluoro-3-methylanilino)phenyl]ethanone
CID 104612747
2-amino-5-(2-fluoro-5-methylanilino)benzamide
CID 61307828

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(2-chloro-4-methylanilino)phenyl]ethanone?
The IUPAC name of 1-[2-amino-5-(2-chloro-4-methylanilino)phenyl]ethanone (CID 104612316) is 1-[2-amino-5-(2-chloro-4-methylanilino)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-5-(2-chloro-4-methylanilino)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-5-(2-chloro-4-methylanilino)phenyl]ethanone is CC(=O)c1cc(Nc2ccc(C)cc2Cl)ccc1N.
What is the InChIKey of 1-[2-amino-5-(2-chloro-4-methylanilino)phenyl]ethanone?
The InChIKey is WCASVGOQSIWBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-9-3-6-15(13(16)7-9)18-11-4-5-14(17)12(8-11)10(2)19/h3-8,18H,17H2,1-2H3.
What are the key properties of 1-[2-amino-5-(2-chloro-4-methylanilino)phenyl]ethanone?
1-[2-amino-5-(2-chloro-4-methylanilino)phenyl]ethanone has a molecular weight of 274.75 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-(2-chloro-4-methylanilino)phenyl]ethanone is sourced from PubChem (CID 104612316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).