2-(4-tert-butylphenyl)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]acetamide

C19H23ClN2O — CID 24765307

IUPAC2-(4-tert-butylphenyl)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(C(C)(C)C)cc1)c1ccc(Cl)cn1
InChIInChI=1S/C19H23ClN2O/c1-13(17-10-9-16(20)12-21-17)22-18(23)11-14-5-7-15(8-6-14)19(2,3)4/h5-10,12-13H,11H2,1-4H3,(H,22,23)/t13-/m1/s1
InChIKeyBIMFQCXAQOKQIK-CYBMUJFWSA-N
MW330.86 g/mol
LogP4.45
Rot. Bonds4

About 2-(4-tert-butylphenyl)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]acetamide

2-(4-tert-butylphenyl)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]acetamide (PubChem CID 24765307) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]acetamide
PubChem CID24765307
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name2-(4-tert-butylphenyl)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(C(C)(C)C)cc1)c1ccc(Cl)cn1
InChIInChI=1S/C19H23ClN2O/c1-13(17-10-9-16(20)12-21-17)22-18(23)11-14-5-7-15(8-6-14)19(2,3)4/h5-10,12-13H,11H2,1-4H3,(H,22,23)/t13-/m1/s1
InChIKeyBIMFQCXAQOKQIK-CYBMUJFWSA-N
XLogP4.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenyl)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]acetamide (CID 24765307) is 2-(4-tert-butylphenyl)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]acetamide is C[C@@H](NC(=O)Cc1ccc(C(C)(C)C)cc1)c1ccc(Cl)cn1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]acetamide?
The InChIKey is BIMFQCXAQOKQIK-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-13(17-10-9-16(20)12-21-17)22-18(23)11-14-5-7-15(8-6-14)19(2,3)4/h5-10,12-13H,11H2,1-4H3,(H,22,23)/t13-/m1/s1.
What are the key properties of 2-(4-tert-butylphenyl)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]acetamide?
2-(4-tert-butylphenyl)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]acetamide has a molecular weight of 330.86 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]acetamide is sourced from PubChem (CID 24765307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).