N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-cycloheptylacetamide

C17H25FN2O — CID 114456992

IUPACN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-cycloheptylacetamide
SMILESNCc1ccc(CNC(=O)CC2CCCCCC2)c(F)c1
InChIInChI=1S/C17H25FN2O/c18-16-9-14(11-19)7-8-15(16)12-20-17(21)10-13-5-3-1-2-4-6-13/h7-9,13H,1-6,10-12,19H2,(H,20,21)
InChIKeyPWKYSVUTPBJEMI-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.26
Rot. Bonds5

About N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-cycloheptylacetamide

N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-cycloheptylacetamide (PubChem CID 114456992) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-cycloheptylacetamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-cycloheptylacetamide
PubChem CID114456992
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-cycloheptylacetamide
SMILESNCc1ccc(CNC(=O)CC2CCCCCC2)c(F)c1
InChIInChI=1S/C17H25FN2O/c18-16-9-14(11-19)7-8-15(16)12-20-17(21)10-13-5-3-1-2-4-6-13/h7-9,13H,1-6,10-12,19H2,(H,20,21)
InChIKeyPWKYSVUTPBJEMI-UHFFFAOYSA-N
XLogP3.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 63358971
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-1-carboxamide
CID 79155872
N-[(4-cyano-2-fluorophenyl)methyl]-2-cyclopropylacetamide
CID 55188581
N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119708033
2-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55447256
4-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide
CID 119313817
N-[[4-(bromomethyl)phenyl]methyl]-2-cycloheptylacetamide
CID 107233781
2-[2-[[(2-cyclohexylacetyl)amino]methyl]phenyl]acetic acid
CID 81312083
N-[(5-amino-2-hydroxyphenyl)methyl]-2-cyclopentylacetamide
CID 60773770
N-[4-(aminomethyl)-2-methoxyphenyl]-2-cyclohexylacetamide
CID 104847616
N-[[2-(aminomethyl)phenyl]methyl]-2-cyclopropylacetamide
CID 62952151
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3,5-dimethylbenzamide
CID 63358790

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-cycloheptylacetamide?
The IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-cycloheptylacetamide (CID 114456992) is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-cycloheptylacetamide.
What is the SMILES notation for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-cycloheptylacetamide?
The canonical SMILES for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-cycloheptylacetamide is NCc1ccc(CNC(=O)CC2CCCCCC2)c(F)c1.
What is the InChIKey of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-cycloheptylacetamide?
The InChIKey is PWKYSVUTPBJEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c18-16-9-14(11-19)7-8-15(16)12-20-17(21)10-13-5-3-1-2-4-6-13/h7-9,13H,1-6,10-12,19H2,(H,20,21).
What are the key properties of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-cycloheptylacetamide?
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-cycloheptylacetamide has a molecular weight of 292.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-cycloheptylacetamide is sourced from PubChem (CID 114456992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).