2-amino-N-(3-propan-2-ylphenyl)benzamide

C16H18N2O — CID 16769549

IUPAC2-amino-N-(3-propan-2-ylphenyl)benzamide
SMILESCC(C)c1cccc(NC(=O)c2ccccc2N)c1
InChIInChI=1S/C16H18N2O/c1-11(2)12-6-5-7-13(10-12)18-16(19)14-8-3-4-9-15(14)17/h3-11H,17H2,1-2H3,(H,18,19)
InChIKeyMVETYYNURUWNBI-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.64
Rot. Bonds3

About 2-amino-N-(3-propan-2-ylphenyl)benzamide

2-amino-N-(3-propan-2-ylphenyl)benzamide (PubChem CID 16769549) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-amino-N-(3-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(3-propan-2-ylphenyl)benzamide
PubChem CID16769549
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-amino-N-(3-propan-2-ylphenyl)benzamide
SMILESCC(C)c1cccc(NC(=O)c2ccccc2N)c1
InChIInChI=1S/C16H18N2O/c1-11(2)12-6-5-7-13(10-12)18-16(19)14-8-3-4-9-15(14)17/h3-11H,17H2,1-2H3,(H,18,19)
InChIKeyMVETYYNURUWNBI-UHFFFAOYSA-N
XLogP3.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-propan-2-ylphenyl)benzamide?
The IUPAC name of 2-amino-N-(3-propan-2-ylphenyl)benzamide (CID 16769549) is 2-amino-N-(3-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 2-amino-N-(3-propan-2-ylphenyl)benzamide?
The canonical SMILES for 2-amino-N-(3-propan-2-ylphenyl)benzamide is CC(C)c1cccc(NC(=O)c2ccccc2N)c1.
What is the InChIKey of 2-amino-N-(3-propan-2-ylphenyl)benzamide?
The InChIKey is MVETYYNURUWNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11(2)12-6-5-7-13(10-12)18-16(19)14-8-3-4-9-15(14)17/h3-11H,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-(3-propan-2-ylphenyl)benzamide?
2-amino-N-(3-propan-2-ylphenyl)benzamide has a molecular weight of 254.33 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 16769549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).