N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride

C11H16Cl2N2O2 — CID 119735604

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NCc1cc(Cl)ccc1OC.Cl
InChIInChI=1S/C11H15ClN2O2.ClH/c1-13-7-11(15)14-6-8-5-9(12)3-4-10(8)16-2;/h3-5,13H,6-7H2,1-2H3,(H,14,15);1H
InChIKeyQBABOHVXKIXNIZ-UHFFFAOYSA-N
MW279.17 g/mol
LogP1.61
Rot. Bonds5

About N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride

N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 119735604) has the molecular formula C11H16Cl2N2O2 and a molecular weight of 279.17 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID119735604
Molecular FormulaC11H16Cl2N2O2
Molecular Weight279.17 g/mol
Exact Mass278.06
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NCc1cc(Cl)ccc1OC.Cl
InChIInChI=1S/C11H15ClN2O2.ClH/c1-13-7-11(15)14-6-8-5-9(12)3-4-10(8)16-2;/h3-5,13H,6-7H2,1-2H3,(H,14,15);1H
InChIKeyQBABOHVXKIXNIZ-UHFFFAOYSA-N
XLogP1.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-2-(ethylamino)acetamide
CID 115157863
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide
CID 82110952
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2,4,4-trimethylpentan-2-ylamino)acetamide
CID 112841991
N-[(5-ethyl-2-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 98784014
N-[(5-chloro-2-methoxyphenyl)methyl]carbamoyl bromide
CID 115193549
(2S)-2-amino-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119296049
1-[(5-chloro-2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 47216838
2-(2,4-dichlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33100291
N-[(5-chloro-2-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 110780278
N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide
CID 55190564
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[methyl(3-methylbutyl)amino]acetamide
CID 87018425
[2-[[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl-dimethylazanium
CID 9069508

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride (CID 119735604) is N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride is CNCC(=O)NCc1cc(Cl)ccc1OC.Cl.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is QBABOHVXKIXNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2.ClH/c1-13-7-11(15)14-6-8-5-9(12)3-4-10(8)16-2;/h3-5,13H,6-7H2,1-2H3,(H,14,15);1H.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride?
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 279.17 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119735604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).