N-(2-amino-4-chlorophenyl)-4-tert-butylbenzamide

C17H19ClN2O — CID 16777469

IUPACN-(2-amino-4-chlorophenyl)-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)cc2N)cc1
InChIInChI=1S/C17H19ClN2O/c1-17(2,3)12-6-4-11(5-7-12)16(21)20-15-9-8-13(18)10-14(15)19/h4-10H,19H2,1-3H3,(H,20,21)
InChIKeyABZGASLYPHUQMP-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.47
Rot. Bonds2

About N-(2-amino-4-chlorophenyl)-4-tert-butylbenzamide

N-(2-amino-4-chlorophenyl)-4-tert-butylbenzamide (PubChem CID 16777469) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-4-tert-butylbenzamide
PubChem CID16777469
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-(2-amino-4-chlorophenyl)-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)cc2N)cc1
InChIInChI=1S/C17H19ClN2O/c1-17(2,3)12-6-4-11(5-7-12)16(21)20-15-9-8-13(18)10-14(15)19/h4-10H,19H2,1-3H3,(H,20,21)
InChIKeyABZGASLYPHUQMP-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-tert-butyl-N-(2,4-dichlorophenyl)benzamide
CID 773784
4-tert-butyl-N-(4-chloro-2-iodophenyl)benzamide
CID 107640588
N-(2-amino-5-chloro-4-methylphenyl)-4-tert-butylbenzamide
CID 91687297
N-(2-amino-5-chlorophenyl)-4-chlorobenzamide
CID 16771665
N-(2-amino-4-chlorophenyl)-4-propoxybenzamide
CID 91687642
N-(2-amino-4-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide
CID 91688991
N-(2-amino-4-chlorophenyl)-4-bromo-3-chlorobenzamide
CID 81290030
N-(3-amino-4-pyridinyl)-4-tert-butylbenzamide
CID 63063621
N-(2-amino-4-chlorophenyl)-1-methylpyrazole-4-carboxamide
CID 28742303
N-(2-amino-5-chlorophenyl)-4-hydroxybenzamide
CID 18070438
N-(2-amino-4-chlorophenyl)-3,3-dimethylbutanamide
CID 16781358
3-amino-N-(4-tert-butylphenyl)-4-fluorobenzamide
CID 39387577

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-4-tert-butylbenzamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-4-tert-butylbenzamide (CID 16777469) is N-(2-amino-4-chlorophenyl)-4-tert-butylbenzamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-4-tert-butylbenzamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-4-tert-butylbenzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)cc2N)cc1.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-4-tert-butylbenzamide?
The InChIKey is ABZGASLYPHUQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-17(2,3)12-6-4-11(5-7-12)16(21)20-15-9-8-13(18)10-14(15)19/h4-10H,19H2,1-3H3,(H,20,21).
What are the key properties of N-(2-amino-4-chlorophenyl)-4-tert-butylbenzamide?
N-(2-amino-4-chlorophenyl)-4-tert-butylbenzamide 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 N-(2-amino-4-chlorophenyl)-4-tert-butylbenzamide is sourced from PubChem (CID 16777469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).