2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chloro-4-fluorophenyl)acetamide

C14H19ClFN3O — CID 116652730

IUPAC2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chloro-4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1Cl)C(CN)C1CC1
InChIInChI=1S/C14H19ClFN3O/c1-19(13(7-17)9-2-3-9)8-14(20)18-12-5-4-10(16)6-11(12)15/h4-6,9,13H,2-3,7-8,17H2,1H3,(H,18,20)
InChIKeyBDBYZIRNGIAVGT-UHFFFAOYSA-N
MW299.78 g/mol
LogP2.09
Rot. Bonds6

About 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chloro-4-fluorophenyl)acetamide

2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chloro-4-fluorophenyl)acetamide (PubChem CID 116652730) has the molecular formula C14H19ClFN3O and a molecular weight of 299.78 g/mol. Its IUPAC name is 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chloro-4-fluorophenyl)acetamide
PubChem CID116652730
Molecular FormulaC14H19ClFN3O
Molecular Weight299.78 g/mol
Exact Mass299.12
IUPAC Name2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chloro-4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1Cl)C(CN)C1CC1
InChIInChI=1S/C14H19ClFN3O/c1-19(13(7-17)9-2-3-9)8-14(20)18-12-5-4-10(16)6-11(12)15/h4-6,9,13H,2-3,7-8,17H2,1H3,(H,18,20)
InChIKeyBDBYZIRNGIAVGT-UHFFFAOYSA-N
XLogP2.09
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-bromo-4-methylphenyl)acetamide
CID 116652601
2-[[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913739
methyl 3-[[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-cyclopropylamino]-2-methylpropanoate
CID 71967887
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-ethylphenyl)acetamide
CID 116652660
3-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chlorophenyl)propanamide
CID 116652756
N-(5-amino-2-chlorophenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide
CID 43568654
N-(2-chloro-4-fluorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770040
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-cyclopropylacetamide
CID 116652957
N-(2-chloro-4-fluorophenyl)-2-[2-hydroxyethyl(pentan-3-yl)amino]acetamide
CID 62015284
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 103441586
N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propanamide
CID 54920451
2-[(2-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978336

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chloro-4-fluorophenyl)acetamide (CID 116652730) is 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chloro-4-fluorophenyl)acetamide is CN(CC(=O)Nc1ccc(F)cc1Cl)C(CN)C1CC1.
What is the InChIKey of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chloro-4-fluorophenyl)acetamide?
The InChIKey is BDBYZIRNGIAVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN3O/c1-19(13(7-17)9-2-3-9)8-14(20)18-12-5-4-10(16)6-11(12)15/h4-6,9,13H,2-3,7-8,17H2,1H3,(H,18,20).
What are the key properties of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chloro-4-fluorophenyl)acetamide?
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chloro-4-fluorophenyl)acetamide has a molecular weight of 299.78 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 116652730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).