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

C26H26ClNO3 — CID 43908425

IUPACN-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-chlorophenoxy)propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C26H26ClNO3/c1-17(31-23-11-6-5-10-22(23)27)25(30)28-21-9-7-8-19(16-21)24(29)18-12-14-20(15-13-18)26(2,3)4/h5-17H,1-4H3,(H,28,30)
InChIKeyNZGBBLVAWNMDIC-UHFFFAOYSA-N
MW435.95 g/mol
LogP6.27
Rot. Bonds6

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

N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-chlorophenoxy)propanamide (PubChem CID 43908425) has the molecular formula C26H26ClNO3 and a molecular weight of 435.95 g/mol. Its IUPAC name is N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-chlorophenoxy)propanamide
PubChem CID43908425
Molecular FormulaC26H26ClNO3
Molecular Weight435.95 g/mol
Exact Mass435.16
IUPAC NameN-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-chlorophenoxy)propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C26H26ClNO3/c1-17(31-23-11-6-5-10-22(23)27)25(30)28-21-9-7-8-19(16-21)24(29)18-12-14-20(15-13-18)26(2,3)4/h5-17H,1-4H3,(H,28,30)
InChIKeyNZGBBLVAWNMDIC-UHFFFAOYSA-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

(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 92675891
(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-chlorophenoxy)propanamide
CID 94016671
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
2-(2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 17154741
N-[3-[[(2S)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]benzamide
CID 118259670
3-[2-(2-chlorophenoxy)propanoylamino]-N-ethyl-N-phenylbenzamide
CID 17221982
(2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 2631906
2-(2-chlorophenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
CID 43886884
(2S)-2-(2-chlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 2631902
N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-phenylbenzamide
CID 43887670
3-[2-(4-tert-butylphenoxy)propanoylamino]-N-propan-2-ylbenzamide
CID 17197514

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-chlorophenoxy)propanamide?
The IUPAC name of N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-chlorophenoxy)propanamide (CID 43908425) is N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-chlorophenoxy)propanamide.
What is the SMILES notation for N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-chlorophenoxy)propanamide?
The canonical SMILES for N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-chlorophenoxy)propanamide is CC(Oc1ccccc1Cl)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-chlorophenoxy)propanamide?
The InChIKey is NZGBBLVAWNMDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClNO3/c1-17(31-23-11-6-5-10-22(23)27)25(30)28-21-9-7-8-19(16-21)24(29)18-12-14-20(15-13-18)26(2,3)4/h5-17H,1-4H3,(H,28,30).
What are the key properties of N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-chlorophenoxy)propanamide?
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-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 N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-chlorophenoxy)propanamide is sourced from PubChem (CID 43908425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).