(2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide

C23H20ClNO4 — CID 7916291

IUPAC(2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
SMILESCOc1cc2c(cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1C)oc1ccccc12
InChIInChI=1S/C23H20ClNO4/c1-13-10-15(24)8-9-19(13)28-14(2)23(26)25-18-12-21-17(11-22(18)27-3)16-6-4-5-7-20(16)29-21/h4-12,14H,1-3H3,(H,25,26)/t14-/m0/s1
InChIKeyJEMZMKQKXIEYOS-AWEZNQCLSA-N
MW409.87 g/mol
LogP5.96
Rot. Bonds5

About (2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide

(2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide (PubChem CID 7916291) has the molecular formula C23H20ClNO4 and a molecular weight of 409.87 g/mol. Its IUPAC name is (2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
PubChem CID7916291
Molecular FormulaC23H20ClNO4
Molecular Weight409.87 g/mol
Exact Mass409.11
IUPAC Name(2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
SMILESCOc1cc2c(cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1C)oc1ccccc12
InChIInChI=1S/C23H20ClNO4/c1-13-10-15(24)8-9-19(13)28-14(2)23(26)25-18-12-21-17(11-22(18)27-3)16-6-4-5-7-20(16)29-21/h4-12,14H,1-3H3,(H,25,26)/t14-/m0/s1
InChIKeyJEMZMKQKXIEYOS-AWEZNQCLSA-N
XLogP5.96
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.87
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dimethylphenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 18291295
(2S)-2-(2-fluorophenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7815222
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1222422
2-(4-acetamidophenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 4805328
(2S)-2-(4-fluorophenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7962389
(2S)-N-(2-methoxydibenzofuran-3-yl)-2-(4-methylquinolin-2-yl)oxypropanamide
CID 25411874
[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-chlorobenzoate
CID 4802218
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-(2-methylphenyl)acetate
CID 7489192
2-(3-ethylphenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 22831051
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
CID 7821695
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2R)-2-hydroxy-2-phenylacetate
CID 7821691
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-methoxybenzoate
CID 7811454

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide?
The IUPAC name of (2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide (CID 7916291) is (2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide.
What is the SMILES notation for (2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide?
The canonical SMILES for (2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide is COc1cc2c(cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1C)oc1ccccc12.
What is the InChIKey of (2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide?
The InChIKey is JEMZMKQKXIEYOS-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H20ClNO4/c1-13-10-15(24)8-9-19(13)28-14(2)23(26)25-18-12-21-17(11-22(18)27-3)16-6-4-5-7-20(16)29-21/h4-12,14H,1-3H3,(H,25,26)/t14-/m0/s1.
What are the key properties of (2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide?
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide has a molecular weight of 409.87 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide is sourced from PubChem (CID 7916291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).