N-[(5-chloro-2-methoxyphenyl)methyl]-2-(ethylamino)acetamide

C12H17ClN2O2 — CID 115157863

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-2-(ethylamino)acetamide
SMILESCCNCC(=O)NCc1cc(Cl)ccc1OC
InChIInChI=1S/C12H17ClN2O2/c1-3-14-8-12(16)15-7-9-6-10(13)4-5-11(9)17-2/h4-6,14H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyVBDAQVIFQHTLMZ-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.57
Rot. Bonds6

About N-[(5-chloro-2-methoxyphenyl)methyl]-2-(ethylamino)acetamide

N-[(5-chloro-2-methoxyphenyl)methyl]-2-(ethylamino)acetamide (PubChem CID 115157863) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-2-(ethylamino)acetamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-(ethylamino)acetamide
PubChem CID115157863
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-(ethylamino)acetamide
SMILESCCNCC(=O)NCc1cc(Cl)ccc1OC
InChIInChI=1S/C12H17ClN2O2/c1-3-14-8-12(16)15-7-9-6-10(13)4-5-11(9)17-2/h4-6,14H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyVBDAQVIFQHTLMZ-UHFFFAOYSA-N
XLogP1.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119735604
N-[(5-chloro-2-methoxyphenyl)methyl]carbamoyl bromide
CID 115193549
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
2-[(5-chloro-2-methoxyphenyl)methylamino]-N,N-diethylacetamide
CID 112687072
N-ethyl-2-[(2-methoxy-5-methylphenyl)methylamino]acetamide
CID 43406781
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-[(5-chloro-2-methoxyphenyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94029080
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 71848842
2-(5-chloro-2-methoxyphenyl)-N-ethoxyacetamide
CID 60700587

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(ethylamino)acetamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(ethylamino)acetamide (CID 115157863) is N-[(5-chloro-2-methoxyphenyl)methyl]-2-(ethylamino)acetamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-2-(ethylamino)acetamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-2-(ethylamino)acetamide is CCNCC(=O)NCc1cc(Cl)ccc1OC.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(ethylamino)acetamide?
The InChIKey is VBDAQVIFQHTLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-3-14-8-12(16)15-7-9-6-10(13)4-5-11(9)17-2/h4-6,14H,3,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(ethylamino)acetamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(ethylamino)acetamide has a molecular weight of 256.73 g/mol, XLogP of 1.57, 6 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-(ethylamino)acetamide is sourced from PubChem (CID 115157863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).