2-(3-chloro-4-methylphenyl)-2-(ethylamino)acetamide

C11H15ClN2O — CID 106817617

IUPAC2-(3-chloro-4-methylphenyl)-2-(ethylamino)acetamide
SMILESCCNC(C(N)=O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-3-14-10(11(13)15)8-5-4-7(2)9(12)6-8/h4-6,10,14H,3H2,1-2H3,(H2,13,15)
InChIKeyYBBXQPLVWRZQAW-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.78
Rot. Bonds4

About 2-(3-chloro-4-methylphenyl)-2-(ethylamino)acetamide

2-(3-chloro-4-methylphenyl)-2-(ethylamino)acetamide (PubChem CID 106817617) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-2-(ethylamino)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-2-(ethylamino)acetamide
PubChem CID106817617
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name2-(3-chloro-4-methylphenyl)-2-(ethylamino)acetamide
SMILESCCNC(C(N)=O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C11H15ClN2O/c1-3-14-10(11(13)15)8-5-4-7(2)9(12)6-8/h4-6,10,14H,3H2,1-2H3,(H2,13,15)
InChIKeyYBBXQPLVWRZQAW-UHFFFAOYSA-N
XLogP1.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-methylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 106817620
2-(3-chloro-4-methylphenyl)-2-sulfanylacetamide
CID 173431236
2-(ethylamino)-2-(3-fluorophenyl)acetamide
CID 60786563
2-chloro-2-(3-chloro-4-methylphenyl)-N-ethylacetamide
CID 106818458
N-[(3-chloro-4-methylphenyl)-(4-chloro-3-methylphenyl)methyl]ethanamine
CID 107562052
2-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 65026801
2-(benzylamino)-2-(3-chloro-4-methylphenyl)acetic acid
CID 106817664
2-(2,4-dimethylphenyl)-2-(ethylamino)acetamide
CID 60786894
2-(3-cyano-4-fluorophenyl)-2-(ethylamino)acetamide
CID 107936380
2-(3-bromo-4-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetamide
CID 83230961
N-[(3-chloro-4-methylphenyl)-(4-propylphenyl)methyl]ethanamine
CID 63508480
N-[(3-chloro-4-iodophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine
CID 107561723

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-2-(ethylamino)acetamide?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-2-(ethylamino)acetamide (CID 106817617) is 2-(3-chloro-4-methylphenyl)-2-(ethylamino)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-2-(ethylamino)acetamide?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-2-(ethylamino)acetamide is CCNC(C(N)=O)c1ccc(C)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-2-(ethylamino)acetamide?
The InChIKey is YBBXQPLVWRZQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-3-14-10(11(13)15)8-5-4-7(2)9(12)6-8/h4-6,10,14H,3H2,1-2H3,(H2,13,15).
What are the key properties of 2-(3-chloro-4-methylphenyl)-2-(ethylamino)acetamide?
2-(3-chloro-4-methylphenyl)-2-(ethylamino)acetamide has a molecular weight of 226.71 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)-2-(ethylamino)acetamide is sourced from PubChem (CID 106817617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).