(2R)-2-(4-tert-butylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide

C20H24ClNO2 — CID 973325

IUPAC(2R)-2-(4-tert-butylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H24ClNO2/c1-13-12-16(21)8-11-18(13)22-19(23)14(2)24-17-9-6-15(7-10-17)20(3,4)5/h6-12,14H,1-5H3,(H,22,23)/t14-/m1/s1
InChIKeyVZSVGWJJPFCXJQ-CQSZACIVSA-N
MW345.87 g/mol
LogP5.35
Rot. Bonds4

About (2R)-2-(4-tert-butylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide

(2R)-2-(4-tert-butylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide (PubChem CID 973325) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is (2R)-2-(4-tert-butylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-tert-butylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
PubChem CID973325
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name(2R)-2-(4-tert-butylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H24ClNO2/c1-13-12-16(21)8-11-18(13)22-19(23)14(2)24-17-9-6-15(7-10-17)20(3,4)5/h6-12,14H,1-5H3,(H,22,23)/t14-/m1/s1
InChIKeyVZSVGWJJPFCXJQ-CQSZACIVSA-N
XLogP5.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.87
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(4-bromo-2-methylphenyl)-2-(4-tert-butylphenoxy)propanamide
CID 7036907
N-(4-chloro-2-methylphenyl)-2-(4-ethoxyphenoxy)propanamide
CID 53267118
N-(4-chloro-2-methylphenyl)-2-(4-phenylphenoxy)propanamide
CID 19191556
N-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 53266190
2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 2791540
N-[4-[2-(4-tert-butylphenoxy)propanoylamino]-2-methylphenyl]benzamide
CID 54781748
(2R)-2-(4-tert-butylphenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7703445
2-(4-tert-butylphenoxy)-N-(2,5-difluorophenyl)propanamide
CID 43024778
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 837813
(2R)-N-(4-chloro-2-fluorophenyl)-2-(4-methylphenoxy)propanamide
CID 26529991
N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)propanamide
CID 42904434
N-(5-amino-2-fluorophenyl)-2-(4-tert-butylphenoxy)propanamide
CID 46735854

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-tert-butylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide?
The IUPAC name of (2R)-2-(4-tert-butylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide (CID 973325) is (2R)-2-(4-tert-butylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-tert-butylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-(4-tert-butylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide is Cc1cc(Cl)ccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of (2R)-2-(4-tert-butylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide?
The InChIKey is VZSVGWJJPFCXJQ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24ClNO2/c1-13-12-16(21)8-11-18(13)22-19(23)14(2)24-17-9-6-15(7-10-17)20(3,4)5/h6-12,14H,1-5H3,(H,22,23)/t14-/m1/s1.
What are the key properties of (2R)-2-(4-tert-butylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide?
(2R)-2-(4-tert-butylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide has a molecular weight of 345.87 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-tert-butylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 973325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).