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

C19H21Cl2NO3 — CID 100605076

IUPAC3-(2,4-dichlorophenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]propanamide
SMILESCOc1ccc(OC[C@@H](C)NC(=O)CCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H21Cl2NO3/c1-13(12-25-17-8-6-16(24-2)7-9-17)22-19(23)10-4-14-3-5-15(20)11-18(14)21/h3,5-9,11,13H,4,10,12H2,1-2H3,(H,22,23)/t13-/m1/s1
InChIKeyZEUGNMQBKYISMN-CYBMUJFWSA-N
MW382.29 g/mol
LogP4.52
Rot. Bonds8

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

3-(2,4-dichlorophenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]propanamide (PubChem CID 100605076) has the molecular formula C19H21Cl2NO3 and a molecular weight of 382.29 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]propanamide
PubChem CID100605076
Molecular FormulaC19H21Cl2NO3
Molecular Weight382.29 g/mol
Exact Mass381.09
IUPAC Name3-(2,4-dichlorophenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]propanamide
SMILESCOc1ccc(OC[C@@H](C)NC(=O)CCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H21Cl2NO3/c1-13(12-25-17-8-6-16(24-2)7-9-17)22-19(23)10-4-14-3-5-15(20)11-18(14)21/h3,5-9,11,13H,4,10,12H2,1-2H3,(H,22,23)/t13-/m1/s1
InChIKeyZEUGNMQBKYISMN-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

2-(2,4-dichlorophenoxy)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 132657832
2-(4-chlorophenyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 132651656
2-(2-chlorophenyl)-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 100630978
3-(4-methoxyphenyl)-N-[(2R)-1-phenoxypropan-2-yl]propanamide
CID 94625030
3-(2,4-dichlorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 100609739
4-chloro-2-fluoro-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100540757
2-[3-(2,4-dichlorophenyl)propanoylamino]-3-methylpentanoic acid
CID 43356411
N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 92680005
2-(4-ethylphenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 100589508
3-(3,4-dichlorophenyl)-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
CID 133220730
3-(2,4-dichlorophenyl)-N-(4-methyl-4-phenylpentan-2-yl)propanamide
CID 133225084
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]propanamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]propanamide (CID 100605076) is 3-(2,4-dichlorophenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]propanamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]propanamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]propanamide is COc1ccc(OC[C@@H](C)NC(=O)CCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]propanamide?
The InChIKey is ZEUGNMQBKYISMN-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21Cl2NO3/c1-13(12-25-17-8-6-16(24-2)7-9-17)22-19(23)10-4-14-3-5-15(20)11-18(14)21/h3,5-9,11,13H,4,10,12H2,1-2H3,(H,22,23)/t13-/m1/s1.
What are the key properties of 3-(2,4-dichlorophenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]propanamide?
3-(2,4-dichlorophenyl)-N-[(2R)-1-(4-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-(2,4-dichlorophenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]propanamide is sourced from PubChem (CID 100605076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).