2-(3-chlorophenyl)-N-[(2S)-1-(3,4-dimethylphenoxy)propan-2-yl]acetamide

C19H22ClNO2 — CID 100767509

IUPAC2-(3-chlorophenyl)-N-[(2S)-1-(3,4-dimethylphenoxy)propan-2-yl]acetamide
SMILESCc1ccc(OC[C@H](C)NC(=O)Cc2cccc(Cl)c2)cc1C
InChIInChI=1S/C19H22ClNO2/c1-13-7-8-18(9-14(13)2)23-12-15(3)21-19(22)11-16-5-4-6-17(20)10-16/h4-10,15H,11-12H2,1-3H3,(H,21,22)/t15-/m0/s1
InChIKeyBJZBFXZOVCSFNG-HNNXBMFYSA-N
MW331.84 g/mol
LogP4.08
Rot. Bonds6

About 2-(3-chlorophenyl)-N-[(2S)-1-(3,4-dimethylphenoxy)propan-2-yl]acetamide

2-(3-chlorophenyl)-N-[(2S)-1-(3,4-dimethylphenoxy)propan-2-yl]acetamide (PubChem CID 100767509) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[(2S)-1-(3,4-dimethylphenoxy)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[(2S)-1-(3,4-dimethylphenoxy)propan-2-yl]acetamide
PubChem CID100767509
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name2-(3-chlorophenyl)-N-[(2S)-1-(3,4-dimethylphenoxy)propan-2-yl]acetamide
SMILESCc1ccc(OC[C@H](C)NC(=O)Cc2cccc(Cl)c2)cc1C
InChIInChI=1S/C19H22ClNO2/c1-13-7-8-18(9-14(13)2)23-12-15(3)21-19(22)11-16-5-4-6-17(20)10-16/h4-10,15H,11-12H2,1-3H3,(H,21,22)/t15-/m0/s1
InChIKeyBJZBFXZOVCSFNG-HNNXBMFYSA-N
XLogP4.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 133199387
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[1-(3,4-dimethylphenoxy)propan-2-yl]acetamide
CID 133163121
N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2-(2,4-dimethylphenyl)acetamide
CID 133262161
N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenyl)acetamide;hydrochloride
CID 120505616
N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-2,2-dimethylpropanamide
CID 100760780
N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-3-(4-fluorophenyl)propanamide
CID 100692631
N-[1-(3,4-dimethylphenoxy)propan-2-yl]-3-(4-fluorophenyl)propanamide
CID 133210666
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(3,4-dimethylphenoxy)propan-2-yl]acetamide
CID 133184574
N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2,5-dimethylbenzamide
CID 133163829
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(3-chlorophenyl)acetamide
CID 62505107
5-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid
CID 82854339
3-(3,4-dimethylphenoxy)-N-[(2R)-1-methoxypropan-2-yl]propanamide
CID 94821099

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[(2S)-1-(3,4-dimethylphenoxy)propan-2-yl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[(2S)-1-(3,4-dimethylphenoxy)propan-2-yl]acetamide (CID 100767509) is 2-(3-chlorophenyl)-N-[(2S)-1-(3,4-dimethylphenoxy)propan-2-yl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[(2S)-1-(3,4-dimethylphenoxy)propan-2-yl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[(2S)-1-(3,4-dimethylphenoxy)propan-2-yl]acetamide is Cc1ccc(OC[C@H](C)NC(=O)Cc2cccc(Cl)c2)cc1C.
What is the InChIKey of 2-(3-chlorophenyl)-N-[(2S)-1-(3,4-dimethylphenoxy)propan-2-yl]acetamide?
The InChIKey is BJZBFXZOVCSFNG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-13-7-8-18(9-14(13)2)23-12-15(3)21-19(22)11-16-5-4-6-17(20)10-16/h4-10,15H,11-12H2,1-3H3,(H,21,22)/t15-/m0/s1.
What are the key properties of 2-(3-chlorophenyl)-N-[(2S)-1-(3,4-dimethylphenoxy)propan-2-yl]acetamide?
2-(3-chlorophenyl)-N-[(2S)-1-(3,4-dimethylphenoxy)propan-2-yl]acetamide has a molecular weight of 331.84 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[(2S)-1-(3,4-dimethylphenoxy)propan-2-yl]acetamide is sourced from PubChem (CID 100767509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).