4-amino-N-(4-tert-butylphenyl)-2-chlorobenzamide

C17H19ClN2O — CID 28748853

IUPAC4-amino-N-(4-tert-butylphenyl)-2-chlorobenzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(N)cc2Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-17(2,3)11-4-7-13(8-5-11)20-16(21)14-9-6-12(19)10-15(14)18/h4-10H,19H2,1-3H3,(H,20,21)
InChIKeyKWCJUJRWWXYXSL-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.47
Rot. Bonds2

About 4-amino-N-(4-tert-butylphenyl)-2-chlorobenzamide

4-amino-N-(4-tert-butylphenyl)-2-chlorobenzamide (PubChem CID 28748853) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-amino-N-(4-tert-butylphenyl)-2-chlorobenzamide.

Molecular Properties

Compound Name4-amino-N-(4-tert-butylphenyl)-2-chlorobenzamide
PubChem CID28748853
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name4-amino-N-(4-tert-butylphenyl)-2-chlorobenzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(N)cc2Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-17(2,3)11-4-7-13(8-5-11)20-16(21)14-9-6-12(19)10-15(14)18/h4-10H,19H2,1-3H3,(H,20,21)
InChIKeyKWCJUJRWWXYXSL-UHFFFAOYSA-N
XLogP4.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-(4-fluorophenyl)benzamide
CID 16787993
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2-amino-N-(4-tert-butylphenyl)-5-methylbenzamide
CID 62059196
4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967456
N-(4-acetylphenyl)-5-amino-2-chlorobenzamide
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4-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide;hydrochloride
CID 119709087
4-amino-2-chloro-N-(3,3-dimethylbutan-2-yl)benzamide
CID 113266180
4-amino-2-chloro-N-(2-methylbutan-2-yl)benzamide
CID 16771675
4-amino-2-chloro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 110464996
1-N,4-N-bis(4-tert-butylphenyl)naphthalene-1,4-dicarboxamide
CID 67816317
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CID 100803624

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-tert-butylphenyl)-2-chlorobenzamide?
The IUPAC name of 4-amino-N-(4-tert-butylphenyl)-2-chlorobenzamide (CID 28748853) is 4-amino-N-(4-tert-butylphenyl)-2-chlorobenzamide.
What is the SMILES notation for 4-amino-N-(4-tert-butylphenyl)-2-chlorobenzamide?
The canonical SMILES for 4-amino-N-(4-tert-butylphenyl)-2-chlorobenzamide is CC(C)(C)c1ccc(NC(=O)c2ccc(N)cc2Cl)cc1.
What is the InChIKey of 4-amino-N-(4-tert-butylphenyl)-2-chlorobenzamide?
The InChIKey is KWCJUJRWWXYXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-17(2,3)11-4-7-13(8-5-11)20-16(21)14-9-6-12(19)10-15(14)18/h4-10H,19H2,1-3H3,(H,20,21).
What are the key properties of 4-amino-N-(4-tert-butylphenyl)-2-chlorobenzamide?
4-amino-N-(4-tert-butylphenyl)-2-chlorobenzamide has a molecular weight of 302.81 g/mol, XLogP of 4.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-tert-butylphenyl)-2-chlorobenzamide is sourced from PubChem (CID 28748853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).