4-[2-(4-tert-butylphenoxy)propanoylamino]-2-chloro-N-cyclopropylbenzamide

C23H27ClN2O3 — CID 55805243

IUPAC4-[2-(4-tert-butylphenoxy)propanoylamino]-2-chloro-N-cyclopropylbenzamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C23H27ClN2O3/c1-14(29-18-10-5-15(6-11-18)23(2,3)4)21(27)26-17-9-12-19(20(24)13-17)22(28)25-16-7-8-16/h5-6,9-14,16H,7-8H2,1-4H3,(H,25,28)(H,26,27)
InChIKeyKHJUDRLRFDDMRX-UHFFFAOYSA-N
MW414.93 g/mol
LogP4.94
Rot. Bonds6

About 4-[2-(4-tert-butylphenoxy)propanoylamino]-2-chloro-N-cyclopropylbenzamide

4-[2-(4-tert-butylphenoxy)propanoylamino]-2-chloro-N-cyclopropylbenzamide (PubChem CID 55805243) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is 4-[2-(4-tert-butylphenoxy)propanoylamino]-2-chloro-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[2-(4-tert-butylphenoxy)propanoylamino]-2-chloro-N-cyclopropylbenzamide
PubChem CID55805243
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC Name4-[2-(4-tert-butylphenoxy)propanoylamino]-2-chloro-N-cyclopropylbenzamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C(=O)NC2CC2)c(Cl)c1
InChIInChI=1S/C23H27ClN2O3/c1-14(29-18-10-5-15(6-11-18)23(2,3)4)21(27)26-17-9-12-19(20(24)13-17)22(28)25-16-7-8-16/h5-6,9-14,16H,7-8H2,1-4H3,(H,25,28)(H,26,27)
InChIKeyKHJUDRLRFDDMRX-UHFFFAOYSA-N
XLogP4.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.93
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[2-(4-chlorophenoxy)propanoylamino]-N-cyclohexylbenzamide
CID 17188484
4-[2-(4-tert-butylphenoxy)propanoylamino]-N-methylbenzamide
CID 43888226
2-chloro-N-cyclohexyl-5-[2-(3-methylphenoxy)propanoylamino]benzamide
CID 17188475
2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide
CID 19203440
N-(4-aminocyclohexyl)-2-(4-tert-butylphenoxy)propanamide;hydrochloride
CID 119475538
N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266599
(2S)-2-(4-tert-butylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9141292
2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide
CID 2938601
(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-chlorophenoxy)propanamide
CID 94016671
cyclohexyl 4-[2-(4-tert-butylphenoxy)propanoylamino]benzoate
CID 19203455
(2R)-2-(4-tert-butylphenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7703445
(2S)-2-(4-tert-butylphenoxy)-N-(3,5-dimethoxyphenyl)propanamide
CID 8572754

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-tert-butylphenoxy)propanoylamino]-2-chloro-N-cyclopropylbenzamide?
The IUPAC name of 4-[2-(4-tert-butylphenoxy)propanoylamino]-2-chloro-N-cyclopropylbenzamide (CID 55805243) is 4-[2-(4-tert-butylphenoxy)propanoylamino]-2-chloro-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[2-(4-tert-butylphenoxy)propanoylamino]-2-chloro-N-cyclopropylbenzamide?
The canonical SMILES for 4-[2-(4-tert-butylphenoxy)propanoylamino]-2-chloro-N-cyclopropylbenzamide is CC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C(=O)NC2CC2)c(Cl)c1.
What is the InChIKey of 4-[2-(4-tert-butylphenoxy)propanoylamino]-2-chloro-N-cyclopropylbenzamide?
The InChIKey is KHJUDRLRFDDMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c1-14(29-18-10-5-15(6-11-18)23(2,3)4)21(27)26-17-9-12-19(20(24)13-17)22(28)25-16-7-8-16/h5-6,9-14,16H,7-8H2,1-4H3,(H,25,28)(H,26,27).
What are the key properties of 4-[2-(4-tert-butylphenoxy)propanoylamino]-2-chloro-N-cyclopropylbenzamide?
4-[2-(4-tert-butylphenoxy)propanoylamino]-2-chloro-N-cyclopropylbenzamide has a molecular weight of 414.93 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-tert-butylphenoxy)propanoylamino]-2-chloro-N-cyclopropylbenzamide is sourced from PubChem (CID 55805243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).