2-(2,4-difluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]acetamide

C14H18F2N2O — CID 115271494

IUPAC2-(2,4-difluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]acetamide
SMILESCNCC1(CNC(=O)Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C14H18F2N2O/c1-17-8-14(4-5-14)9-18-13(19)6-10-2-3-11(15)7-12(10)16/h2-3,7,17H,4-6,8-9H2,1H3,(H,18,19)
InChIKeyHXNNAVILFWPSCK-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.62
Rot. Bonds6

About 2-(2,4-difluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]acetamide

2-(2,4-difluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]acetamide (PubChem CID 115271494) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]acetamide
PubChem CID115271494
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-(2,4-difluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]acetamide
SMILESCNCC1(CNC(=O)Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C14H18F2N2O/c1-17-8-14(4-5-14)9-18-13(19)6-10-2-3-11(15)7-12(10)16/h2-3,7,17H,4-6,8-9H2,1H3,(H,18,19)
InChIKeyHXNNAVILFWPSCK-UHFFFAOYSA-N
XLogP1.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-aminocyclohexyl)methyl]-2-(2,4-difluorophenyl)acetamide
CID 119404549
2-(3-fluorophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide
CID 115267551
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,5-difluorophenyl)acetamide
CID 115271338
N-[(2,4-difluorophenyl)methyl]-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183711
N-(2-amino-2-methylpropyl)-2-(2,4-difluorophenyl)acetamide;hydrochloride
CID 119629495
3,4-difluoro-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide
CID 115267549
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide
CID 115455987
2-(2,4-difluorophenyl)-N-pent-3-ynylacetamide
CID 104581240
1-[[(2,4-difluorophenyl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451560
1-amino-N-[(2,4-difluorophenyl)methyl]cyclohexane-1-carboxamide
CID 62228717
2-(3-bromophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide
CID 115267561
2-(3,4-difluorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 80716827

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]acetamide (CID 115271494) is 2-(2,4-difluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]acetamide is CNCC1(CNC(=O)Cc2ccc(F)cc2F)CC1.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]acetamide?
The InChIKey is HXNNAVILFWPSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-17-8-14(4-5-14)9-18-13(19)6-10-2-3-11(15)7-12(10)16/h2-3,7,17H,4-6,8-9H2,1H3,(H,18,19).
What are the key properties of 2-(2,4-difluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]acetamide?
2-(2,4-difluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]acetamide has a molecular weight of 268.31 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]acetamide is sourced from PubChem (CID 115271494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).