(2S)-N-tert-butyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide

C20H22ClNO3 — CID 8887369

IUPAC(2S)-N-tert-butyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
SMILESC[C@H](Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)NC(C)(C)C
InChIInChI=1S/C20H22ClNO3/c1-13(19(24)22-20(2,3)4)25-17-11-7-15(8-12-17)18(23)14-5-9-16(21)10-6-14/h5-13H,1-4H3,(H,22,24)/t13-/m0/s1
InChIKeyKQGFFQKANJSRHL-ZDUSSCGKSA-N
MW359.85 g/mol
LogP4.25
Rot. Bonds5

About (2S)-N-tert-butyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide

(2S)-N-tert-butyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide (PubChem CID 8887369) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is (2S)-N-tert-butyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
PubChem CID8887369
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC Name(2S)-N-tert-butyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
SMILESC[C@H](Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)NC(C)(C)C
InChIInChI=1S/C20H22ClNO3/c1-13(19(24)22-20(2,3)4)25-17-11-7-15(8-12-17)18(23)14-5-9-16(21)10-6-14/h5-13H,1-4H3,(H,22,24)/t13-/m0/s1
InChIKeyKQGFFQKANJSRHL-ZDUSSCGKSA-N
XLogP4.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-tert-butyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]oxybenzamide
CID 8946463
N-carbamoyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 4815395
(2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-propylpropanamide
CID 8887384
(3R)-3-[4-(4-chlorobenzoyl)phenoxy]butan-2-one
CID 94185711
(2S)-N-tert-butyl-2-(4-methoxyphenoxy)propanamide
CID 925163
4-[2-[2-[4-(4-chlorobenzoyl)phenoxy]propanoyl]hydrazinyl]benzoic acid
CID 154646170
N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 4884528
(2S)-N-tert-butyl-2-(3-chlorophenoxy)propanamide
CID 966263
N'-[2-(4-tert-butylphenoxy)propanoyl]-4-chlorobenzohydrazide
CID 17046478
2-[4-(4-chlorobenzoyl)phenoxy]-N-piperidin-1-ylpropanamide
CID 154646156
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-tert-butylpropanamide
CID 78933085
N-tert-butyl-2-(4-formylphenoxy)propanamide
CID 43086480

Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide?
The IUPAC name of (2S)-N-tert-butyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide (CID 8887369) is (2S)-N-tert-butyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide.
What is the SMILES notation for (2S)-N-tert-butyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide?
The canonical SMILES for (2S)-N-tert-butyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide is C[C@H](Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)NC(C)(C)C.
What is the InChIKey of (2S)-N-tert-butyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide?
The InChIKey is KQGFFQKANJSRHL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H22ClNO3/c1-13(19(24)22-20(2,3)4)25-17-11-7-15(8-12-17)18(23)14-5-9-16(21)10-6-14/h5-13H,1-4H3,(H,22,24)/t13-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide?
(2S)-N-tert-butyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide has a molecular weight of 359.85 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide is sourced from PubChem (CID 8887369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).