2-(4-chloro-3-methylphenoxy)-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]acetamide

C18H20ClNO4 — CID 39951201

IUPAC2-(4-chloro-3-methylphenoxy)-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]acetamide
SMILESCc1cc(OCC(=O)N[C@@H](C)[C@H](O)c2ccc(O)cc2)ccc1Cl
InChIInChI=1S/C18H20ClNO4/c1-11-9-15(7-8-16(11)19)24-10-17(22)20-12(2)18(23)13-3-5-14(21)6-4-13/h3-9,12,18,21,23H,10H2,1-2H3,(H,20,22)/t12-,18-/m0/s1
InChIKeyOGSFBNDNAVPTDY-SGTLLEGYSA-N
MW349.81 g/mol
LogP2.97
Rot. Bonds6

About 2-(4-chloro-3-methylphenoxy)-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]acetamide

2-(4-chloro-3-methylphenoxy)-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]acetamide (PubChem CID 39951201) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]acetamide
PubChem CID39951201
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]acetamide
SMILESCc1cc(OCC(=O)N[C@@H](C)[C@H](O)c2ccc(O)cc2)ccc1Cl
InChIInChI=1S/C18H20ClNO4/c1-11-9-15(7-8-16(11)19)24-10-17(22)20-12(2)18(23)13-3-5-14(21)6-4-13/h3-9,12,18,21,23H,10H2,1-2H3,(H,20,22)/t12-,18-/m0/s1
InChIKeyOGSFBNDNAVPTDY-SGTLLEGYSA-N
XLogP2.97
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43916161
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
(2S,3R)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104964843
2-(4-chloro-3-methylphenoxy)-N-(1-phenylethyl)acetamide
CID 2903059
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 883675
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 7794652
2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)propyl]acetamide
CID 17328371
2-(4-chloro-3-methylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 46778602
methyl (2S)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methylpentanoate
CID 9289599
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 17404295
2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43915739
(2R)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-2-phenylacetamide
CID 51492437

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]acetamide (CID 39951201) is 2-(4-chloro-3-methylphenoxy)-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]acetamide is Cc1cc(OCC(=O)N[C@@H](C)[C@H](O)c2ccc(O)cc2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]acetamide?
The InChIKey is OGSFBNDNAVPTDY-SGTLLEGYSA-N. The full InChI is InChI=1S/C18H20ClNO4/c1-11-9-15(7-8-16(11)19)24-10-17(22)20-12(2)18(23)13-3-5-14(21)6-4-13/h3-9,12,18,21,23H,10H2,1-2H3,(H,20,22)/t12-,18-/m0/s1.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]acetamide has a molecular weight of 349.81 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 39951201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).