3-(3,4-dichlorophenyl)-N-[(2R)-1-(2-methoxyphenoxy)propan-2-yl]propanamide

C19H21Cl2NO3 — CID 100597850

IUPAC3-(3,4-dichlorophenyl)-N-[(2R)-1-(2-methoxyphenoxy)propan-2-yl]propanamide
SMILESCOc1ccccc1OC[C@@H](C)NC(=O)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H21Cl2NO3/c1-13(12-25-18-6-4-3-5-17(18)24-2)22-19(23)10-8-14-7-9-15(20)16(21)11-14/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,22,23)/t13-/m1/s1
InChIKeyXRLIFNNSAOHADN-CYBMUJFWSA-N
MW382.29 g/mol
LogP4.52
Rot. Bonds8

About 3-(3,4-dichlorophenyl)-N-[(2R)-1-(2-methoxyphenoxy)propan-2-yl]propanamide

3-(3,4-dichlorophenyl)-N-[(2R)-1-(2-methoxyphenoxy)propan-2-yl]propanamide (PubChem CID 100597850) has the molecular formula C19H21Cl2NO3 and a molecular weight of 382.29 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-[(2R)-1-(2-methoxyphenoxy)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-[(2R)-1-(2-methoxyphenoxy)propan-2-yl]propanamide
PubChem CID100597850
Molecular FormulaC19H21Cl2NO3
Molecular Weight382.29 g/mol
Exact Mass381.09
IUPAC Name3-(3,4-dichlorophenyl)-N-[(2R)-1-(2-methoxyphenoxy)propan-2-yl]propanamide
SMILESCOc1ccccc1OC[C@@H](C)NC(=O)CCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H21Cl2NO3/c1-13(12-25-18-6-4-3-5-17(18)24-2)22-19(23)10-8-14-7-9-15(20)16(21)11-14/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,22,23)/t13-/m1/s1
InChIKeyXRLIFNNSAOHADN-CYBMUJFWSA-N
XLogP4.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-N-[1-(2-methoxyphenoxy)propan-2-yl]propanamide
CID 133220664
3-(2,6-dichlorophenyl)-N-[1-(2-methoxyphenoxy)propan-2-yl]propanamide
CID 133225046
3-(3,4-dichlorophenyl)-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
CID 133220730
3-(3,4-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]propanamide
CID 110306883
N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]propanamide
CID 95397556
3-(3,4-diethoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide
CID 132658147
2-methoxy-N-[(2R)-1-(2-methoxyphenoxy)propan-2-yl]acetamide
CID 100529408
3-(3,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]propanamide
CID 100597392
3-(3,4-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 133219990
3-(3,4-dichlorophenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 100573076
2-[3-(3,4-dichlorophenyl)propanoylamino]propanoic acid
CID 119225556
2-(3,4-dichlorophenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 4883247

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-[(2R)-1-(2-methoxyphenoxy)propan-2-yl]propanamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-[(2R)-1-(2-methoxyphenoxy)propan-2-yl]propanamide (CID 100597850) is 3-(3,4-dichlorophenyl)-N-[(2R)-1-(2-methoxyphenoxy)propan-2-yl]propanamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-[(2R)-1-(2-methoxyphenoxy)propan-2-yl]propanamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-[(2R)-1-(2-methoxyphenoxy)propan-2-yl]propanamide is COc1ccccc1OC[C@@H](C)NC(=O)CCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-[(2R)-1-(2-methoxyphenoxy)propan-2-yl]propanamide?
The InChIKey is XRLIFNNSAOHADN-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21Cl2NO3/c1-13(12-25-18-6-4-3-5-17(18)24-2)22-19(23)10-8-14-7-9-15(20)16(21)11-14/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,22,23)/t13-/m1/s1.
What are the key properties of 3-(3,4-dichlorophenyl)-N-[(2R)-1-(2-methoxyphenoxy)propan-2-yl]propanamide?
3-(3,4-dichlorophenyl)-N-[(2R)-1-(2-methoxyphenoxy)propan-2-yl]propanamide has a molecular weight of 382.29 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-[(2R)-1-(2-methoxyphenoxy)propan-2-yl]propanamide is sourced from PubChem (CID 100597850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).