(2S)-2-(3-acetamidophenoxy)-N-(5-chloro-2-methoxyphenyl)propanamide

C18H19ClN2O4 — CID 7698294

IUPAC(2S)-2-(3-acetamidophenoxy)-N-(5-chloro-2-methoxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1cccc(NC(C)=O)c1
InChIInChI=1S/C18H19ClN2O4/c1-11(25-15-6-4-5-14(10-15)20-12(2)22)18(23)21-16-9-13(19)7-8-17(16)24-3/h4-11H,1-3H3,(H,20,22)(H,21,23)/t11-/m0/s1
InChIKeyDEIHQXUFPVPAAO-NSHDSACASA-N
MW362.81 g/mol
LogP3.71
Rot. Bonds6

About (2S)-2-(3-acetamidophenoxy)-N-(5-chloro-2-methoxyphenyl)propanamide

(2S)-2-(3-acetamidophenoxy)-N-(5-chloro-2-methoxyphenyl)propanamide (PubChem CID 7698294) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is (2S)-2-(3-acetamidophenoxy)-N-(5-chloro-2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-acetamidophenoxy)-N-(5-chloro-2-methoxyphenyl)propanamide
PubChem CID7698294
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name(2S)-2-(3-acetamidophenoxy)-N-(5-chloro-2-methoxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1cccc(NC(C)=O)c1
InChIInChI=1S/C18H19ClN2O4/c1-11(25-15-6-4-5-14(10-15)20-12(2)22)18(23)21-16-9-13(19)7-8-17(16)24-3/h4-11H,1-3H3,(H,20,22)(H,21,23)/t11-/m0/s1
InChIKeyDEIHQXUFPVPAAO-NSHDSACASA-N
XLogP3.71
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 7834540
2-(3-acetamidoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 17480510
2-(3-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4319209
2-(3-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 3382354
(2R)-N-(5-acetamido-2-methoxyphenyl)-2-(3-methylphenoxy)propanamide
CID 8873735
N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 17341494
N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 42989189
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1222422
N-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenoxy)propanamide
CID 3318555
methyl 4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxybenzoate
CID 17462373
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-methylphenoxy)propanamide
CID 7794724
methyl 4-[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7965358

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-acetamidophenoxy)-N-(5-chloro-2-methoxyphenyl)propanamide?
The IUPAC name of (2S)-2-(3-acetamidophenoxy)-N-(5-chloro-2-methoxyphenyl)propanamide (CID 7698294) is (2S)-2-(3-acetamidophenoxy)-N-(5-chloro-2-methoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-(3-acetamidophenoxy)-N-(5-chloro-2-methoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-(3-acetamidophenoxy)-N-(5-chloro-2-methoxyphenyl)propanamide is COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1cccc(NC(C)=O)c1.
What is the InChIKey of (2S)-2-(3-acetamidophenoxy)-N-(5-chloro-2-methoxyphenyl)propanamide?
The InChIKey is DEIHQXUFPVPAAO-NSHDSACASA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-11(25-15-6-4-5-14(10-15)20-12(2)22)18(23)21-16-9-13(19)7-8-17(16)24-3/h4-11H,1-3H3,(H,20,22)(H,21,23)/t11-/m0/s1.
What are the key properties of (2S)-2-(3-acetamidophenoxy)-N-(5-chloro-2-methoxyphenyl)propanamide?
(2S)-2-(3-acetamidophenoxy)-N-(5-chloro-2-methoxyphenyl)propanamide has a molecular weight of 362.81 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-acetamidophenoxy)-N-(5-chloro-2-methoxyphenyl)propanamide is sourced from PubChem (CID 7698294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).