2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-difluorophenyl)acetamide

C14H19F2N3O — CID 116652536

IUPAC2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-difluorophenyl)acetamide
SMILESCN(CC(=O)Nc1cc(F)cc(F)c1)C(CN)C1CC1
InChIInChI=1S/C14H19F2N3O/c1-19(13(7-17)9-2-3-9)8-14(20)18-12-5-10(15)4-11(16)6-12/h4-6,9,13H,2-3,7-8,17H2,1H3,(H,18,20)
InChIKeyDVUCZFRMNQUOJC-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.57
Rot. Bonds6

About 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-difluorophenyl)acetamide

2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-difluorophenyl)acetamide (PubChem CID 116652536) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-difluorophenyl)acetamide
PubChem CID116652536
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-difluorophenyl)acetamide
SMILESCN(CC(=O)Nc1cc(F)cc(F)c1)C(CN)C1CC1
InChIInChI=1S/C14H19F2N3O/c1-19(13(7-17)9-2-3-9)8-14(20)18-12-5-10(15)4-11(16)6-12/h4-6,9,13H,2-3,7-8,17H2,1H3,(H,18,20)
InChIKeyDVUCZFRMNQUOJC-UHFFFAOYSA-N
XLogP1.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 116652760
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chloro-4-fluorophenyl)acetamide
CID 116652730
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-ethylphenyl)acetamide
CID 116652660
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-methylacetamide
CID 116652481
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 116652517
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-bromo-4-methylphenyl)acetamide
CID 116652601
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-cyclopropylacetamide
CID 116652957
2-amino-N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120791947
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 116652982
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-prop-2-ynylacetamide
CID 116653113
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(1-phenylethyl)acetamide
CID 116653073
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3,5-difluorophenyl)acetamide
CID 79651883

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-difluorophenyl)acetamide?
The IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-difluorophenyl)acetamide (CID 116652536) is 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-difluorophenyl)acetamide?
The canonical SMILES for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-difluorophenyl)acetamide is CN(CC(=O)Nc1cc(F)cc(F)c1)C(CN)C1CC1.
What is the InChIKey of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-difluorophenyl)acetamide?
The InChIKey is DVUCZFRMNQUOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-19(13(7-17)9-2-3-9)8-14(20)18-12-5-10(15)4-11(16)6-12/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-(3,5-difluorophenyl)acetamide?
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-difluorophenyl)acetamide has a molecular weight of 283.32 g/mol, XLogP of 1.57, 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-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 116652536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).