(2R)-2-(3,4-dichlorophenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide

C14H17Cl2NO3 — CID 95774668

IUPAC(2R)-2-(3,4-dichlorophenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide
SMILESC[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCC1(O)CCC1
InChIInChI=1S/C14H17Cl2NO3/c1-9(13(18)17-8-14(19)5-2-6-14)20-10-3-4-11(15)12(16)7-10/h3-4,7,9,19H,2,5-6,8H2,1H3,(H,17,18)/t9-/m1/s1
InChIKeyCTFYCIDWKAHLOX-SECBINFHSA-N
MW318.20 g/mol
LogP2.79
Rot. Bonds5

About (2R)-2-(3,4-dichlorophenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide

(2R)-2-(3,4-dichlorophenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide (PubChem CID 95774668) has the molecular formula C14H17Cl2NO3 and a molecular weight of 318.20 g/mol. Its IUPAC name is (2R)-2-(3,4-dichlorophenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3,4-dichlorophenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide
PubChem CID95774668
Molecular FormulaC14H17Cl2NO3
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC Name(2R)-2-(3,4-dichlorophenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide
SMILESC[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCC1(O)CCC1
InChIInChI=1S/C14H17Cl2NO3/c1-9(13(18)17-8-14(19)5-2-6-14)20-10-3-4-11(15)12(16)7-10/h3-4,7,9,19H,2,5-6,8H2,1H3,(H,17,18)/t9-/m1/s1
InChIKeyCTFYCIDWKAHLOX-SECBINFHSA-N
XLogP2.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 78889646
2-(3,4-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430309
2-(3,4-dichlorophenoxy)-N-(3-methylbutyl)propanamide
CID 134038130
2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119505468
2-(3,4-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
CID 120890512
2-(3,4-dichlorophenoxy)-N-propan-2-ylpropanamide
CID 47109802
(2R)-N-cyclopentyl-2-(3,4-dichlorophenoxy)propanamide
CID 2706554
2-(4-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 80717682
1-[[2-(4-chlorophenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449352
(2S)-2-(3,4-dichlorophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 26539751
2-(3,4-dichlorophenoxy)-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 119534233
2-(3,4-dichlorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 110895980

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dichlorophenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide?
The IUPAC name of (2R)-2-(3,4-dichlorophenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide (CID 95774668) is (2R)-2-(3,4-dichlorophenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(3,4-dichlorophenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide?
The canonical SMILES for (2R)-2-(3,4-dichlorophenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide is C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCC1(O)CCC1.
What is the InChIKey of (2R)-2-(3,4-dichlorophenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide?
The InChIKey is CTFYCIDWKAHLOX-SECBINFHSA-N. The full InChI is InChI=1S/C14H17Cl2NO3/c1-9(13(18)17-8-14(19)5-2-6-14)20-10-3-4-11(15)12(16)7-10/h3-4,7,9,19H,2,5-6,8H2,1H3,(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-2-(3,4-dichlorophenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide?
(2R)-2-(3,4-dichlorophenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide has a molecular weight of 318.20 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dichlorophenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide is sourced from PubChem (CID 95774668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).