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

C11H14Cl2N2O — CID 66568409

IUPAC2-amino-N-[(2,3-dichlorophenyl)methyl]-N-ethylacetamide
SMILESCCN(Cc1cccc(Cl)c1Cl)C(=O)CN
InChIInChI=1S/C11H14Cl2N2O/c1-2-15(10(16)6-14)7-8-4-3-5-9(12)11(8)13/h3-5H,2,6-7,14H2,1H3
InChIKeySBGHTJLQZLZOBP-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.30
Rot. Bonds4

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

2-amino-N-[(2,3-dichlorophenyl)methyl]-N-ethylacetamide (PubChem CID 66568409) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is 2-amino-N-[(2,3-dichlorophenyl)methyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-amino-N-[(2,3-dichlorophenyl)methyl]-N-ethylacetamide
PubChem CID66568409
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name2-amino-N-[(2,3-dichlorophenyl)methyl]-N-ethylacetamide
SMILESCCN(Cc1cccc(Cl)c1Cl)C(=O)CN
InChIInChI=1S/C11H14Cl2N2O/c1-2-15(10(16)6-14)7-8-4-3-5-9(12)11(8)13/h3-5H,2,6-7,14H2,1H3
InChIKeySBGHTJLQZLZOBP-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

3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 60938834
1-butyl-1-[(2,3-dichlorophenyl)methyl]urea
CID 118625499
2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylacetamide
CID 66568191
(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896
N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]propanamide
CID 69301683
4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutanamide
CID 63308077
3-amino-2-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbenzamide
CID 115930313
3-[(2,3-dichlorophenyl)methyl-ethylamino]butanoic acid
CID 65060850
2-amino-N-[(2,3-dichlorophenyl)methyl]-N,2-dimethylbutanamide
CID 79805999
4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60937647
2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylpropanamide
CID 61265237
(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 78973445

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2,3-dichlorophenyl)methyl]-N-ethylacetamide?
The IUPAC name of 2-amino-N-[(2,3-dichlorophenyl)methyl]-N-ethylacetamide (CID 66568409) is 2-amino-N-[(2,3-dichlorophenyl)methyl]-N-ethylacetamide.
What is the SMILES notation for 2-amino-N-[(2,3-dichlorophenyl)methyl]-N-ethylacetamide?
The canonical SMILES for 2-amino-N-[(2,3-dichlorophenyl)methyl]-N-ethylacetamide is CCN(Cc1cccc(Cl)c1Cl)C(=O)CN.
What is the InChIKey of 2-amino-N-[(2,3-dichlorophenyl)methyl]-N-ethylacetamide?
The InChIKey is SBGHTJLQZLZOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c1-2-15(10(16)6-14)7-8-4-3-5-9(12)11(8)13/h3-5H,2,6-7,14H2,1H3.
What are the key properties of 2-amino-N-[(2,3-dichlorophenyl)methyl]-N-ethylacetamide?
2-amino-N-[(2,3-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-[(2,3-dichlorophenyl)methyl]-N-ethylacetamide is sourced from PubChem (CID 66568409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).