4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide

C16H17FN2O — CID 81366240

IUPAC4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(CN)cc1)c1cccc(F)c1
InChIInChI=1S/C16H17FN2O/c1-11(14-3-2-4-15(17)9-14)19-16(20)13-7-5-12(10-18)6-8-13/h2-9,11H,10,18H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyLJLIDBOJSDIBMJ-LLVKDONJSA-N
MW272.32 g/mol
LogP2.78
Rot. Bonds4

About 4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide

4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide (PubChem CID 81366240) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
PubChem CID81366240
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(CN)cc1)c1cccc(F)c1
InChIInChI=1S/C16H17FN2O/c1-11(14-3-2-4-15(17)9-14)19-16(20)13-7-5-12(10-18)6-8-13/h2-9,11H,10,18H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyLJLIDBOJSDIBMJ-LLVKDONJSA-N
XLogP2.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(chloromethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 81364892
N-[1-(3-fluorophenyl)ethyl]-4-iodobenzamide
CID 47098593
N-[1-(3-fluorophenyl)ethyl]-4-sulfanylbenzamide
CID 107025556
4-(benzenesulfonylmethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 51955516
3-(2-aminoethyl)-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 62592272
4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride
CID 119269307
3-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 81366044
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1S)-1-(3-fluorophenyl)ethyl]benzamide
CID 41138201
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 92814322
4-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-N-methylbenzamide
CID 28620365
4-amino-3,5-dichloro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 82808709
N-[1-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56809827

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide (CID 81366240) is 4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide is C[C@@H](NC(=O)c1ccc(CN)cc1)c1cccc(F)c1.
What is the InChIKey of 4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide?
The InChIKey is LJLIDBOJSDIBMJ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11(14-3-2-4-15(17)9-14)19-16(20)13-7-5-12(10-18)6-8-13/h2-9,11H,10,18H2,1H3,(H,19,20)/t11-/m1/s1.
What are the key properties of 4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide?
4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide has a molecular weight of 272.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 81366240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).