(2S)-N-(3-chlorophenyl)-2-(4-phenylmethoxyphenoxy)propanamide

C22H20ClNO3 — CID 7916093

IUPAC(2S)-N-(3-chlorophenyl)-2-(4-phenylmethoxyphenoxy)propanamide
SMILESC[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C22H20ClNO3/c1-16(22(25)24-19-9-5-8-18(23)14-19)27-21-12-10-20(11-13-21)26-15-17-6-3-2-4-7-17/h2-14,16H,15H2,1H3,(H,24,25)/t16-/m0/s1
InChIKeyKOECRYYWXGVNTF-INIZCTEOSA-N
MW381.86 g/mol
LogP5.32
Rot. Bonds7

About (2S)-N-(3-chlorophenyl)-2-(4-phenylmethoxyphenoxy)propanamide

(2S)-N-(3-chlorophenyl)-2-(4-phenylmethoxyphenoxy)propanamide (PubChem CID 7916093) has the molecular formula C22H20ClNO3 and a molecular weight of 381.86 g/mol. Its IUPAC name is (2S)-N-(3-chlorophenyl)-2-(4-phenylmethoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(3-chlorophenyl)-2-(4-phenylmethoxyphenoxy)propanamide
PubChem CID7916093
Molecular FormulaC22H20ClNO3
Molecular Weight381.86 g/mol
Exact Mass381.11
IUPAC Name(2S)-N-(3-chlorophenyl)-2-(4-phenylmethoxyphenoxy)propanamide
SMILESC[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C22H20ClNO3/c1-16(22(25)24-19-9-5-8-18(23)14-19)27-21-12-10-20(11-13-21)26-15-17-6-3-2-4-7-17/h2-14,16H,15H2,1H3,(H,24,25)/t16-/m0/s1
InChIKeyKOECRYYWXGVNTF-INIZCTEOSA-N
XLogP5.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.86
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 9233741
(2R)-N-(3-cyanophenyl)-2-(4-phenylmethoxyphenoxy)propanamide
CID 7950503
(2R)-2-[4-[(3-chlorophenyl)methoxy]phenoxy]-N-methylpropanamide
CID 11594891
N-(3-chlorophenyl)-2-(4-propylphenoxy)propanamide
CID 53266042
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
(2S)-2-(2,5-dichlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7185213
[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 3-chlorobenzoate
CID 7860029
4-[[(2R)-2-(4-phenylmethoxyphenoxy)propanoyl]amino]benzamide
CID 2557704
2-(3-methoxyphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 19203878
N-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 9252923
2-(4-acetylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 4879204
(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467081

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chlorophenyl)-2-(4-phenylmethoxyphenoxy)propanamide?
The IUPAC name of (2S)-N-(3-chlorophenyl)-2-(4-phenylmethoxyphenoxy)propanamide (CID 7916093) is (2S)-N-(3-chlorophenyl)-2-(4-phenylmethoxyphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(3-chlorophenyl)-2-(4-phenylmethoxyphenoxy)propanamide?
The canonical SMILES for (2S)-N-(3-chlorophenyl)-2-(4-phenylmethoxyphenoxy)propanamide is C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (2S)-N-(3-chlorophenyl)-2-(4-phenylmethoxyphenoxy)propanamide?
The InChIKey is KOECRYYWXGVNTF-INIZCTEOSA-N. The full InChI is InChI=1S/C22H20ClNO3/c1-16(22(25)24-19-9-5-8-18(23)14-19)27-21-12-10-20(11-13-21)26-15-17-6-3-2-4-7-17/h2-14,16H,15H2,1H3,(H,24,25)/t16-/m0/s1.
What are the key properties of (2S)-N-(3-chlorophenyl)-2-(4-phenylmethoxyphenoxy)propanamide?
(2S)-N-(3-chlorophenyl)-2-(4-phenylmethoxyphenoxy)propanamide has a molecular weight of 381.86 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chlorophenyl)-2-(4-phenylmethoxyphenoxy)propanamide is sourced from PubChem (CID 7916093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).