2-[2,4-dichloro-6-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride

C14H19Cl3N2O3 — CID 6473357

IUPAC2-[2,4-dichloro-6-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCl.NC(=O)COc1c(Cl)cc(Cl)cc1CNCC1CCCO1
InChIInChI=1S/C14H18Cl2N2O3.ClH/c15-10-4-9(6-18-7-11-2-1-3-20-11)14(12(16)5-10)21-8-13(17)19;/h4-5,11,18H,1-3,6-8H2,(H2,17,19);1H
InChIKeyKFTSLNYNCPWPIR-UHFFFAOYSA-N
MW369.68 g/mol
LogP2.55
Rot. Bonds7

About 2-[2,4-dichloro-6-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride

2-[2,4-dichloro-6-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride (PubChem CID 6473357) has the molecular formula C14H19Cl3N2O3 and a molecular weight of 369.68 g/mol. Its IUPAC name is 2-[2,4-dichloro-6-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2,4-dichloro-6-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
PubChem CID6473357
Molecular FormulaC14H19Cl3N2O3
Molecular Weight369.68 g/mol
Exact Mass368.05
IUPAC Name2-[2,4-dichloro-6-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCl.NC(=O)COc1c(Cl)cc(Cl)cc1CNCC1CCCO1
InChIInChI=1S/C14H18Cl2N2O3.ClH/c15-10-4-9(6-18-7-11-2-1-3-20-11)14(12(16)5-10)21-8-13(17)19;/h4-5,11,18H,1-3,6-8H2,(H2,17,19);1H
InChIKeyKFTSLNYNCPWPIR-UHFFFAOYSA-N
XLogP2.55
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.68
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 4717405
N-[(3,5-dichloro-2-propan-2-yloxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51989916
N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51988305
2-[2,4-dichloro-6-[(prop-2-enylamino)methyl]phenoxy]acetamide
CID 6473574
2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]acetamide;hydrochloride
CID 6473566
2-[2-bromo-6-ethoxy-4-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide
CID 653263
N-[[3,5-dichloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43515830
N-[(2,4-dichlorophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119674688
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 4722191
2-[2-[[[(2R)-oxolan-2-yl]methylamino]methyl]phenoxy]acetic acid
CID 95003278
[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium
CID 7248442
2,6-dichloro-4-[(oxolan-2-ylmethylamino)methyl]aniline
CID 82833111

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dichloro-6-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride?
The IUPAC name of 2-[2,4-dichloro-6-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride (CID 6473357) is 2-[2,4-dichloro-6-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride.
What is the SMILES notation for 2-[2,4-dichloro-6-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride?
The canonical SMILES for 2-[2,4-dichloro-6-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride is Cl.NC(=O)COc1c(Cl)cc(Cl)cc1CNCC1CCCO1.
What is the InChIKey of 2-[2,4-dichloro-6-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride?
The InChIKey is KFTSLNYNCPWPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3.ClH/c15-10-4-9(6-18-7-11-2-1-3-20-11)14(12(16)5-10)21-8-13(17)19;/h4-5,11,18H,1-3,6-8H2,(H2,17,19);1H.
What are the key properties of 2-[2,4-dichloro-6-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride?
2-[2,4-dichloro-6-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride has a molecular weight of 369.68 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dichloro-6-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 6473357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).