N-(2-chloro-4-methoxyphenyl)-2-(ethylamino)-N-methylacetamide

C12H17ClN2O2 — CID 115157803

IUPACN-(2-chloro-4-methoxyphenyl)-2-(ethylamino)-N-methylacetamide
SMILESCCNCC(=O)N(C)c1ccc(OC)cc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-4-14-8-12(16)15(2)11-6-5-9(17-3)7-10(11)13/h5-7,14H,4,8H2,1-3H3
InChIKeyGCIDHNWXGZAYKH-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.92
Rot. Bonds5

About N-(2-chloro-4-methoxyphenyl)-2-(ethylamino)-N-methylacetamide

N-(2-chloro-4-methoxyphenyl)-2-(ethylamino)-N-methylacetamide (PubChem CID 115157803) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is N-(2-chloro-4-methoxyphenyl)-2-(ethylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methoxyphenyl)-2-(ethylamino)-N-methylacetamide
PubChem CID115157803
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC NameN-(2-chloro-4-methoxyphenyl)-2-(ethylamino)-N-methylacetamide
SMILESCCNCC(=O)N(C)c1ccc(OC)cc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-4-14-8-12(16)15(2)11-6-5-9(17-3)7-10(11)13/h5-7,14H,4,8H2,1-3H3
InChIKeyGCIDHNWXGZAYKH-UHFFFAOYSA-N
XLogP1.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methoxyphenyl)-1-cyano-N-methylformamide
CID 115172032
N-[(2,4-dimethoxyphenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 115157957
2-chloro-N-ethyl-4-methoxy-N-methylaniline
CID 115259322
2-chloro-4-(ethylaminomethyl)-N-(4-methoxyphenyl)-N-methylaniline
CID 81143433
2-chloro-4-methoxy-N-(methoxymethyl)-N-methylaniline
CID 115258388
2-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylaniline
CID 81143432
2-(2-chloro-4-methoxyphenyl)-N,N-diethylacetamide
CID 110769985
N-(2-chloro-5-methoxyphenyl)-3-oxo-N-(3-oxobutanoyl)butanamide
CID 23342599
2-(ethylamino)-N-methyl-N-(6-methylnaphthalen-2-yl)acetamide
CID 115157845
methyl 3-(2,5-dimethoxy-N-methylanilino)-3-oxopropanoate
CID 115174206
2-(ethylamino)-1-(3-methoxyphenyl)ethanone
CID 82101988
1-(2-bromo-5-methoxyphenyl)-3-(ethylamino)propan-2-one
CID 116562652

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methoxyphenyl)-2-(ethylamino)-N-methylacetamide?
The IUPAC name of N-(2-chloro-4-methoxyphenyl)-2-(ethylamino)-N-methylacetamide (CID 115157803) is N-(2-chloro-4-methoxyphenyl)-2-(ethylamino)-N-methylacetamide.
What is the SMILES notation for N-(2-chloro-4-methoxyphenyl)-2-(ethylamino)-N-methylacetamide?
The canonical SMILES for N-(2-chloro-4-methoxyphenyl)-2-(ethylamino)-N-methylacetamide is CCNCC(=O)N(C)c1ccc(OC)cc1Cl.
What is the InChIKey of N-(2-chloro-4-methoxyphenyl)-2-(ethylamino)-N-methylacetamide?
The InChIKey is GCIDHNWXGZAYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-4-14-8-12(16)15(2)11-6-5-9(17-3)7-10(11)13/h5-7,14H,4,8H2,1-3H3.
What are the key properties of N-(2-chloro-4-methoxyphenyl)-2-(ethylamino)-N-methylacetamide?
N-(2-chloro-4-methoxyphenyl)-2-(ethylamino)-N-methylacetamide has a molecular weight of 256.73 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methoxyphenyl)-2-(ethylamino)-N-methylacetamide is sourced from PubChem (CID 115157803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).