2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylacetamide

C11H14Cl2N2O — CID 66568191

IUPAC2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylacetamide
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN
InChIInChI=1S/C11H14Cl2N2O/c1-2-15(11(16)6-14)7-8-3-4-9(12)10(13)5-8/h3-5H,2,6-7,14H2,1H3
InChIKeyZXYCYIKSJOITDB-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.30
Rot. Bonds4

About 2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylacetamide

2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylacetamide (PubChem CID 66568191) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is 2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylacetamide
PubChem CID66568191
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylacetamide
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN
InChIInChI=1S/C11H14Cl2N2O/c1-2-15(11(16)6-14)7-8-3-4-9(12)10(13)5-8/h3-5H,2,6-7,14H2,1H3
InChIKeyZXYCYIKSJOITDB-UHFFFAOYSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(3,4-dichlorophenyl)methyl]-N-[2-(diethylamino)ethyl]acetamide
CID 119866058
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 119300447
N-[(3,4-dichlorophenyl)methyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-methylacetamide
CID 112792453
N-[(3,4-dichlorophenyl)methyl]-N-propylpropanamide
CID 142120101
N-[3-[(3,4-dichlorophenyl)methyl-ethylamino]-3-oxopropyl]benzamide
CID 55916150
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 55978200
2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 60712583
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119743612
3-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide
CID 92931902
2-amino-N-[(2,3-dichlorophenyl)methyl]-N-ethylacetamide
CID 66568409
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119743606
N-(2-amino-2-sulfanylideneethyl)-2-(3,4-dichlorophenyl)-N-ethylacetamide
CID 63045790

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylacetamide?
The IUPAC name of 2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylacetamide (CID 66568191) is 2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylacetamide.
What is the SMILES notation for 2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylacetamide?
The canonical SMILES for 2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylacetamide is CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN.
What is the InChIKey of 2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylacetamide?
The InChIKey is ZXYCYIKSJOITDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c1-2-15(11(16)6-14)7-8-3-4-9(12)10(13)5-8/h3-5H,2,6-7,14H2,1H3.
What are the key properties of 2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylacetamide?
2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylacetamide has a molecular weight of 261.15 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylacetamide is sourced from PubChem (CID 66568191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).