N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(methylamino)acetamide

C13H16Cl2N2O — CID 54872475

IUPACN-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(methylamino)acetamide
SMILESCNCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C13H16Cl2N2O/c1-16-7-13(18)17(10-3-4-10)8-9-2-5-11(14)12(15)6-9/h2,5-6,10,16H,3-4,7-8H2,1H3
InChIKeyXIOPUYJVVWIIDW-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.70
Rot. Bonds5

About N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(methylamino)acetamide

N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(methylamino)acetamide (PubChem CID 54872475) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(methylamino)acetamide
PubChem CID54872475
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC NameN-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(methylamino)acetamide
SMILESCNCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C13H16Cl2N2O/c1-16-7-13(18)17(10-3-4-10)8-9-2-5-11(14)12(15)6-9/h2,5-6,10,16H,3-4,7-8H2,1H3
InChIKeyXIOPUYJVVWIIDW-UHFFFAOYSA-N
XLogP2.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-(methylamino)butanamide
CID 60947854
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]propanamide
CID 61061495
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-methoxyacetamide
CID 61061923
N-cyclopropyl-2-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]acetamide;hydrochloride
CID 119693001
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 60686602
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-piperidin-4-ylacetamide
CID 119740757
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide
CID 119688726
2-(aminomethyl)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-3-methylbutanamide
CID 65227497
N-[(2-chlorophenyl)methyl]-N-cyclopentyl-2-(methylamino)acetamide
CID 119776374
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide
CID 86802858
1-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]cyclobutane-1-carboxamide
CID 81172021
2-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pentanamide;hydrochloride
CID 119298871

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(methylamino)acetamide?
The IUPAC name of N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(methylamino)acetamide (CID 54872475) is N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(methylamino)acetamide?
The canonical SMILES for N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(methylamino)acetamide is CNCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(methylamino)acetamide?
The InChIKey is XIOPUYJVVWIIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-16-7-13(18)17(10-3-4-10)8-9-2-5-11(14)12(15)6-9/h2,5-6,10,16H,3-4,7-8H2,1H3.
What are the key properties of N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(methylamino)acetamide?
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(methylamino)acetamide has a molecular weight of 287.19 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(methylamino)acetamide is sourced from PubChem (CID 54872475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).