N-[3-[(cyclopropylamino)methyl]phenyl]-3-fluorobenzamide

C17H17FN2O — CID 106910873

IUPACN-[3-[(cyclopropylamino)methyl]phenyl]-3-fluorobenzamide
SMILESO=C(Nc1cccc(CNC2CC2)c1)c1cccc(F)c1
InChIInChI=1S/C17H17FN2O/c18-14-5-2-4-13(10-14)17(21)20-16-6-1-3-12(9-16)11-19-15-7-8-15/h1-6,9-10,15,19H,7-8,11H2,(H,20,21)
InChIKeyZAVKPVAAUNHYPM-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.33
Rot. Bonds5

About N-[3-[(cyclopropylamino)methyl]phenyl]-3-fluorobenzamide

N-[3-[(cyclopropylamino)methyl]phenyl]-3-fluorobenzamide (PubChem CID 106910873) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is N-[3-[(cyclopropylamino)methyl]phenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[(cyclopropylamino)methyl]phenyl]-3-fluorobenzamide
PubChem CID106910873
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC NameN-[3-[(cyclopropylamino)methyl]phenyl]-3-fluorobenzamide
SMILESO=C(Nc1cccc(CNC2CC2)c1)c1cccc(F)c1
InChIInChI=1S/C17H17FN2O/c18-14-5-2-4-13(10-14)17(21)20-16-6-1-3-12(9-16)11-19-15-7-8-15/h1-6,9-10,15,19H,7-8,11H2,(H,20,21)
InChIKeyZAVKPVAAUNHYPM-UHFFFAOYSA-N
XLogP3.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(cyclopropylamino)methyl]phenyl]-3-methylbenzamide
CID 106910927
N-[3-(bromomethyl)phenyl]-3-fluorobenzamide
CID 114307159
N-[3-[(cyclopropylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide
CID 106910952
3-amino-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119741762
N-[3-[[(2-cyclopropylpyrimidin-4-yl)amino]methyl]phenyl]-3-fluorobenzamide
CID 133297956
3-fluoro-N-[3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]phenyl]benzamide
CID 99834490
N-[3-(cyclopropylsulfamoyl)phenyl]-3-fluorobenzamide
CID 17404523
3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 34455176
3-fluoro-N-[3-[(2,3,3,3-tetrafluoropropanoylamino)methyl]phenyl]benzamide
CID 119039957
propan-2-yl N-[3-[(cyclopropylamino)methyl]phenyl]carbamate
CID 106911597
2-cyclopropyl-N-[3-[(cyclopropylamino)methyl]phenyl]propanamide
CID 106910945
N-[3-[(cyclopropylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 106910888

Frequently Asked Questions

What is the IUPAC name of N-[3-[(cyclopropylamino)methyl]phenyl]-3-fluorobenzamide?
The IUPAC name of N-[3-[(cyclopropylamino)methyl]phenyl]-3-fluorobenzamide (CID 106910873) is N-[3-[(cyclopropylamino)methyl]phenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[3-[(cyclopropylamino)methyl]phenyl]-3-fluorobenzamide?
The canonical SMILES for N-[3-[(cyclopropylamino)methyl]phenyl]-3-fluorobenzamide is O=C(Nc1cccc(CNC2CC2)c1)c1cccc(F)c1.
What is the InChIKey of N-[3-[(cyclopropylamino)methyl]phenyl]-3-fluorobenzamide?
The InChIKey is ZAVKPVAAUNHYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-14-5-2-4-13(10-14)17(21)20-16-6-1-3-12(9-16)11-19-15-7-8-15/h1-6,9-10,15,19H,7-8,11H2,(H,20,21).
What are the key properties of N-[3-[(cyclopropylamino)methyl]phenyl]-3-fluorobenzamide?
N-[3-[(cyclopropylamino)methyl]phenyl]-3-fluorobenzamide has a molecular weight of 284.33 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(cyclopropylamino)methyl]phenyl]-3-fluorobenzamide is sourced from PubChem (CID 106910873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).