2-(2-chloroanilino)-2-(4-propan-2-ylphenyl)acetamide

C17H19ClN2O — CID 61005849

IUPAC2-(2-chloroanilino)-2-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(C(Nc2ccccc2Cl)C(N)=O)cc1
InChIInChI=1S/C17H19ClN2O/c1-11(2)12-7-9-13(10-8-12)16(17(19)21)20-15-6-4-3-5-14(15)18/h3-11,16,20H,1-2H3,(H2,19,21)
InChIKeyUPFXXLRHZXEXMY-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.10
Rot. Bonds5

About 2-(2-chloroanilino)-2-(4-propan-2-ylphenyl)acetamide

2-(2-chloroanilino)-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 61005849) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-(2-chloroanilino)-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-2-(4-propan-2-ylphenyl)acetamide
PubChem CID61005849
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-(2-chloroanilino)-2-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(C(Nc2ccccc2Cl)C(N)=O)cc1
InChIInChI=1S/C17H19ClN2O/c1-11(2)12-7-9-13(10-8-12)16(17(19)21)20-15-6-4-3-5-14(15)18/h3-11,16,20H,1-2H3,(H2,19,21)
InChIKeyUPFXXLRHZXEXMY-UHFFFAOYSA-N
XLogP4.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloroanilino)-2-[4-(dimethylamino)phenyl]acetamide
CID 61006312
2-(3-bromo-4-methylphenyl)-2-(2-chloroanilino)acetamide
CID 105401788
2-(2-chloroanilino)-2-(2-chlorophenyl)acetamide
CID 54892395
methyl 2-(4-bromophenyl)-2-(2-chloroanilino)acetate
CID 60991666
2-(2-chloroanilino)-2-(2-ethylphenyl)acetamide
CID 62416652
2-(2-chloroanilino)-2-(4-methoxyphenyl)acetic acid
CID 60991114
2-(2-chloroanilino)-2-(3-cyanophenyl)acetamide
CID 61006310
N-(2-chlorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 65377098
2-(2-chloroanilino)-2-(5-chloro-1-methylimidazol-2-yl)acetamide
CID 114239350
2-(2-chloroanilino)-2-(3-methylimidazol-4-yl)acetamide
CID 66119000
2-(2-fluoroanilino)-2-(4-fluorophenyl)acetamide
CID 60710855
2-(2-chloroanilino)-2-(2,4-difluorophenyl)acetamide
CID 61006519

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-2-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(2-chloroanilino)-2-(4-propan-2-ylphenyl)acetamide (CID 61005849) is 2-(2-chloroanilino)-2-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-chloroanilino)-2-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(2-chloroanilino)-2-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(C(Nc2ccccc2Cl)C(N)=O)cc1.
What is the InChIKey of 2-(2-chloroanilino)-2-(4-propan-2-ylphenyl)acetamide?
The InChIKey is UPFXXLRHZXEXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-11(2)12-7-9-13(10-8-12)16(17(19)21)20-15-6-4-3-5-14(15)18/h3-11,16,20H,1-2H3,(H2,19,21).
What are the key properties of 2-(2-chloroanilino)-2-(4-propan-2-ylphenyl)acetamide?
2-(2-chloroanilino)-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 302.81 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 61005849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).