(2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide

C22H20ClNO3 — CID 9233741

IUPAC(2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H20ClNO3/c1-16(27-21-11-7-18(23)8-12-21)22(25)24-19-9-13-20(14-10-19)26-15-17-5-3-2-4-6-17/h2-14,16H,15H2,1H3,(H,24,25)/t16-/m0/s1
InChIKeyVJNIUYDXIQPMKV-INIZCTEOSA-N
MW381.86 g/mol
LogP5.32
Rot. Bonds7

About (2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide

(2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide (PubChem CID 9233741) has the molecular formula C22H20ClNO3 and a molecular weight of 381.86 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
PubChem CID9233741
Molecular FormulaC22H20ClNO3
Molecular Weight381.86 g/mol
Exact Mass381.11
IUPAC Name(2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
SMILESC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H20ClNO3/c1-16(27-21-11-7-18(23)8-12-21)22(25)24-19-9-13-20(14-10-19)26-15-17-5-3-2-4-6-17/h2-14,16H,15H2,1H3,(H,24,25)/t16-/m0/s1
InChIKeyVJNIUYDXIQPMKV-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

2-(4-chlorophenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide
CID 4958215
(2S)-N-(3-chlorophenyl)-2-(4-phenylmethoxyphenoxy)propanamide
CID 7916093
2-(4-chlorophenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide
CID 17130174
2-(4-acetylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 4879204
(2S)-2-(2,5-dichlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7185213
(2R)-2-(4-cyanophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 2541572
4-[[(2R)-2-(4-phenylmethoxyphenoxy)propanoyl]amino]benzamide
CID 2557704
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865
2-(3-methoxyphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 19203878
2-(4-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 4940648
(2S)-2-(4-chlorophenoxy)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide
CID 6896991
2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 4944300

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of (2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide (CID 9233741) is (2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide is C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is VJNIUYDXIQPMKV-INIZCTEOSA-N. The full InChI is InChI=1S/C22H20ClNO3/c1-16(27-21-11-7-18(23)8-12-21)22(25)24-19-9-13-20(14-10-19)26-15-17-5-3-2-4-6-17/h2-14,16H,15H2,1H3,(H,24,25)/t16-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide?
(2S)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)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)-2-(4-chlorophenoxy)-N-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 9233741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).