3-(2,6-dichlorophenyl)-N-[1-(2-methoxyphenoxy)propan-2-yl]propanamide

C19H21Cl2NO3 — CID 133225046

IUPAC3-(2,6-dichlorophenyl)-N-[1-(2-methoxyphenoxy)propan-2-yl]propanamide
SMILESCOc1ccccc1OCC(C)NC(=O)CCc1c(Cl)cccc1Cl
InChIInChI=1S/C19H21Cl2NO3/c1-13(12-25-18-9-4-3-8-17(18)24-2)22-19(23)11-10-14-15(20)6-5-7-16(14)21/h3-9,13H,10-12H2,1-2H3,(H,22,23)
InChIKeyNTZDXUGCDISCLY-UHFFFAOYSA-N
MW382.29 g/mol
LogP4.52
Rot. Bonds8

About 3-(2,6-dichlorophenyl)-N-[1-(2-methoxyphenoxy)propan-2-yl]propanamide

3-(2,6-dichlorophenyl)-N-[1-(2-methoxyphenoxy)propan-2-yl]propanamide (PubChem CID 133225046) has the molecular formula C19H21Cl2NO3 and a molecular weight of 382.29 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-[1-(2-methoxyphenoxy)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-[1-(2-methoxyphenoxy)propan-2-yl]propanamide
PubChem CID133225046
Molecular FormulaC19H21Cl2NO3
Molecular Weight382.29 g/mol
Exact Mass381.09
IUPAC Name3-(2,6-dichlorophenyl)-N-[1-(2-methoxyphenoxy)propan-2-yl]propanamide
SMILESCOc1ccccc1OCC(C)NC(=O)CCc1c(Cl)cccc1Cl
InChIInChI=1S/C19H21Cl2NO3/c1-13(12-25-18-9-4-3-8-17(18)24-2)22-19(23)11-10-14-15(20)6-5-7-16(14)21/h3-9,13H,10-12H2,1-2H3,(H,22,23)
InChIKeyNTZDXUGCDISCLY-UHFFFAOYSA-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-(3,4-dichlorophenyl)-N-[(2R)-1-(2-methoxyphenoxy)propan-2-yl]propanamide
CID 100597850
N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]propanamide
CID 95397556
2-methoxy-N-[(2R)-1-(2-methoxyphenoxy)propan-2-yl]acetamide
CID 100529408
3-(2,6-dichlorophenyl)-N-pentan-2-ylpropanamide
CID 133225006
N-[(2S)-butan-2-yl]-3-(2,6-dimethoxyphenyl)propanamide
CID 100789348
4-(2-chlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]butanamide
CID 94821455
N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]cyclopentanecarboxamide
CID 95706429
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]propanamide
CID 95165188
4-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]pentanoic acid
CID 120689371
3-(2,6-dichlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 100599366
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]acetamide
CID 100667509

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-[1-(2-methoxyphenoxy)propan-2-yl]propanamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-[1-(2-methoxyphenoxy)propan-2-yl]propanamide (CID 133225046) is 3-(2,6-dichlorophenyl)-N-[1-(2-methoxyphenoxy)propan-2-yl]propanamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-[1-(2-methoxyphenoxy)propan-2-yl]propanamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-[1-(2-methoxyphenoxy)propan-2-yl]propanamide is COc1ccccc1OCC(C)NC(=O)CCc1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-[1-(2-methoxyphenoxy)propan-2-yl]propanamide?
The InChIKey is NTZDXUGCDISCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO3/c1-13(12-25-18-9-4-3-8-17(18)24-2)22-19(23)11-10-14-15(20)6-5-7-16(14)21/h3-9,13H,10-12H2,1-2H3,(H,22,23).
What are the key properties of 3-(2,6-dichlorophenyl)-N-[1-(2-methoxyphenoxy)propan-2-yl]propanamide?
3-(2,6-dichlorophenyl)-N-[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-(2,6-dichlorophenyl)-N-[1-(2-methoxyphenoxy)propan-2-yl]propanamide is sourced from PubChem (CID 133225046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).