2-(2,4-dichlorophenoxy)-N-(6-methylheptan-2-yl)propanamide

C17H25Cl2NO2 — CID 3347713

IUPAC2-(2,4-dichlorophenoxy)-N-(6-methylheptan-2-yl)propanamide
SMILESCC(C)CCCC(C)NC(=O)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H25Cl2NO2/c1-11(2)6-5-7-12(3)20-17(21)13(4)22-16-9-8-14(18)10-15(16)19/h8-13H,5-7H2,1-4H3,(H,20,21)
InChIKeyCVWCFYIDKQUUSK-UHFFFAOYSA-N
MW346.30 g/mol
LogP5.09
Rot. Bonds8

About 2-(2,4-dichlorophenoxy)-N-(6-methylheptan-2-yl)propanamide

2-(2,4-dichlorophenoxy)-N-(6-methylheptan-2-yl)propanamide (PubChem CID 3347713) has the molecular formula C17H25Cl2NO2 and a molecular weight of 346.30 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(6-methylheptan-2-yl)propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(6-methylheptan-2-yl)propanamide
PubChem CID3347713
Molecular FormulaC17H25Cl2NO2
Molecular Weight346.30 g/mol
Exact Mass345.13
IUPAC Name2-(2,4-dichlorophenoxy)-N-(6-methylheptan-2-yl)propanamide
SMILESCC(C)CCCC(C)NC(=O)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H25Cl2NO2/c1-11(2)6-5-7-12(3)20-17(21)13(4)22-16-9-8-14(18)10-15(16)19/h8-13H,5-7H2,1-4H3,(H,20,21)
InChIKeyCVWCFYIDKQUUSK-UHFFFAOYSA-N
XLogP5.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.30
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenoxy)-N-heptan-2-ylpropanamide
CID 4098989
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 2169643
(2S)-2-(2,4-dichlorophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 7506041
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7506039
methyl (2S)-2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methylpentanoate
CID 7324378
(2R)-2-(2,4-dichlorophenoxy)-N-ethoxypropanamide
CID 30690113
(2S)-2-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 61138004
2-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylpentanoic acid
CID 3825551
N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]-3-methylbutanehydrazide
CID 41387582
4-[2-(2,4-dichlorophenoxy)propanoylamino]butanoic acid
CID 43239301
2-(4-chloro-2-methylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide
CID 81047647
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxypropyl]propanamide
CID 39950205

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(6-methylheptan-2-yl)propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(6-methylheptan-2-yl)propanamide (CID 3347713) is 2-(2,4-dichlorophenoxy)-N-(6-methylheptan-2-yl)propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(6-methylheptan-2-yl)propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(6-methylheptan-2-yl)propanamide is CC(C)CCCC(C)NC(=O)C(C)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(6-methylheptan-2-yl)propanamide?
The InChIKey is CVWCFYIDKQUUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2NO2/c1-11(2)6-5-7-12(3)20-17(21)13(4)22-16-9-8-14(18)10-15(16)19/h8-13H,5-7H2,1-4H3,(H,20,21).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(6-methylheptan-2-yl)propanamide?
2-(2,4-dichlorophenoxy)-N-(6-methylheptan-2-yl)propanamide has a molecular weight of 346.30 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(6-methylheptan-2-yl)propanamide is sourced from PubChem (CID 3347713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).