(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-chlorophenoxy)propanamide

C26H26ClNO3 — CID 94016671

IUPAC(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-chlorophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C26H26ClNO3/c1-17(31-23-14-12-21(27)13-15-23)25(30)28-22-7-5-6-19(16-22)24(29)18-8-10-20(11-9-18)26(2,3)4/h5-17H,1-4H3,(H,28,30)/t17-/m1/s1
InChIKeyOORBTSVQPTVZAK-QGZVFWFLSA-N
MW435.95 g/mol
LogP6.27
Rot. Bonds6

About (2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-chlorophenoxy)propanamide

(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-chlorophenoxy)propanamide (PubChem CID 94016671) has the molecular formula C26H26ClNO3 and a molecular weight of 435.95 g/mol. Its IUPAC name is (2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-chlorophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-chlorophenoxy)propanamide
PubChem CID94016671
Molecular FormulaC26H26ClNO3
Molecular Weight435.95 g/mol
Exact Mass435.16
IUPAC Name(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-chlorophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C26H26ClNO3/c1-17(31-23-14-12-21(27)13-15-23)25(30)28-22-7-5-6-19(16-22)24(29)18-8-10-20(11-9-18)26(2,3)4/h5-17H,1-4H3,(H,28,30)/t17-/m1/s1
InChIKeyOORBTSVQPTVZAK-QGZVFWFLSA-N
XLogP6.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.95
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-fluorophenoxy)propanamide
CID 46778387
(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(3-methylphenoxy)propanamide
CID 94012105
3-[2-(4-chlorophenoxy)propanoylamino]benzoic acid
CID 19176856
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-chlorophenoxy)propanamide
CID 43908425
3-[2-(4-tert-butylphenoxy)propanoylamino]-N-propan-2-ylbenzamide
CID 17197514
methyl 3-[[(2S)-2-(4-chlorophenoxy)propanoyl]amino]benzoate
CID 2676529
(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 92675891
3-[2-(4-chlorophenoxy)propanoylamino]-N-(3-methylphenyl)benzamide
CID 43877483
N-butan-2-yl-3-[2-(4-tert-butylphenoxy)propanoylamino]benzamide
CID 17198918
N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 4884528
2-(4-chlorophenoxy)-N-(3-fluorophenyl)propanamide
CID 21173814
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8864581

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-chlorophenoxy)propanamide?
The IUPAC name of (2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-chlorophenoxy)propanamide (CID 94016671) is (2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-chlorophenoxy)propanamide.
What is the SMILES notation for (2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-chlorophenoxy)propanamide?
The canonical SMILES for (2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-chlorophenoxy)propanamide is C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of (2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-chlorophenoxy)propanamide?
The InChIKey is OORBTSVQPTVZAK-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H26ClNO3/c1-17(31-23-14-12-21(27)13-15-23)25(30)28-22-7-5-6-19(16-22)24(29)18-8-10-20(11-9-18)26(2,3)4/h5-17H,1-4H3,(H,28,30)/t17-/m1/s1.
What are the key properties of (2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-chlorophenoxy)propanamide?
(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-chlorophenoxy)propanamide has a molecular weight of 435.95 g/mol, XLogP of 6.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-chlorophenoxy)propanamide is sourced from PubChem (CID 94016671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).