N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,5-difluorophenyl)acetamide

C13H16F2N2O — CID 115271338

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,5-difluorophenyl)acetamide
SMILESNCC1(CNC(=O)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C13H16F2N2O/c14-10-1-2-11(15)9(5-10)6-12(18)17-8-13(7-16)3-4-13/h1-2,5H,3-4,6-8,16H2,(H,17,18)
InChIKeyFXBKIEORDYWYID-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.36
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,5-difluorophenyl)acetamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,5-difluorophenyl)acetamide (PubChem CID 115271338) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,5-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,5-difluorophenyl)acetamide
PubChem CID115271338
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,5-difluorophenyl)acetamide
SMILESNCC1(CNC(=O)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C13H16F2N2O/c14-10-1-2-11(15)9(5-10)6-12(18)17-8-13(7-16)3-4-13/h1-2,5H,3-4,6-8,16H2,(H,17,18)
InChIKeyFXBKIEORDYWYID-UHFFFAOYSA-N
XLogP1.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclopentyl]methyl]-2-(3,4-difluorophenyl)acetamide
CID 115365544
2-(2,4-difluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]acetamide
CID 115271494
2-[4-(aminomethyl)phenyl]-N-[(2,5-difluorophenyl)methyl]acetamide
CID 63793376
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)propanamide
CID 115271381
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-chlorophenyl)acetamide
CID 115267473
N-[(1-aminocyclohexyl)methyl]-2-(2,4-difluorophenyl)acetamide
CID 119404549
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide
CID 113313642
1-[[1-(aminomethyl)cyclopropyl]methyl]-3-(4-fluorophenyl)urea
CID 113313693
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,5-difluorobenzenesulfonamide
CID 115456954
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methylsulfanylphenyl)acetamide
CID 115271343
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide
CID 115365383
1-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 63377776

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,5-difluorophenyl)acetamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,5-difluorophenyl)acetamide (CID 115271338) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,5-difluorophenyl)acetamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,5-difluorophenyl)acetamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,5-difluorophenyl)acetamide is NCC1(CNC(=O)Cc2cc(F)ccc2F)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,5-difluorophenyl)acetamide?
The InChIKey is FXBKIEORDYWYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c14-10-1-2-11(15)9(5-10)6-12(18)17-8-13(7-16)3-4-13/h1-2,5H,3-4,6-8,16H2,(H,17,18).
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,5-difluorophenyl)acetamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,5-difluorophenyl)acetamide has a molecular weight of 254.28 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,5-difluorophenyl)acetamide is sourced from PubChem (CID 115271338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).