3-acetamido-N-[2-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)benzamide

C16H20F3N3O2 — CID 119602942

IUPAC3-acetamido-N-[2-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)benzamide
SMILESCC(=O)Nc1cc(C(=O)NC2CCCC2CN)cc(C(F)(F)F)c1
InChIInChI=1S/C16H20F3N3O2/c1-9(23)21-13-6-11(5-12(7-13)16(17,18)19)15(24)22-14-4-2-3-10(14)8-20/h5-7,10,14H,2-4,8,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyVSYJNFZBHFDMKX-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.52
Rot. Bonds4

About 3-acetamido-N-[2-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)benzamide

3-acetamido-N-[2-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)benzamide (PubChem CID 119602942) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 3-acetamido-N-[2-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)benzamide
PubChem CID119602942
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Name3-acetamido-N-[2-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)benzamide
SMILESCC(=O)Nc1cc(C(=O)NC2CCCC2CN)cc(C(F)(F)F)c1
InChIInChI=1S/C16H20F3N3O2/c1-9(23)21-13-6-11(5-12(7-13)16(17,18)19)15(24)22-14-4-2-3-10(14)8-20/h5-7,10,14H,2-4,8,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyVSYJNFZBHFDMKX-UHFFFAOYSA-N
XLogP2.52
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-fluoro-5-methylbenzamide
CID 113265788
3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119457403
3-acetamido-N-(2-amino-2-methylpropyl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119628226
N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide
CID 119632784
N-[2-(aminomethyl)cyclopentyl]-3-(carbamoylamino)benzamide
CID 119601722
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride
CID 119612395
N-[2-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)benzamide
CID 103751525
N-[(1R,2R)-2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]-3,5-dimethylbenzamide
CID 101341361
N-[2-(aminomethyl)cyclohexyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 119611820
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide
CID 119485287
N-[3-[[carbamoyl(methyl)amino]carbamoyl]-5-(trifluoromethyl)phenyl]acetamide
CID 75398204
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-acetamido-N-[2-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)benzamide (CID 119602942) is 3-acetamido-N-[2-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-acetamido-N-[2-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-acetamido-N-[2-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)benzamide is CC(=O)Nc1cc(C(=O)NC2CCCC2CN)cc(C(F)(F)F)c1.
What is the InChIKey of 3-acetamido-N-[2-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)benzamide?
The InChIKey is VSYJNFZBHFDMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-9(23)21-13-6-11(5-12(7-13)16(17,18)19)15(24)22-14-4-2-3-10(14)8-20/h5-7,10,14H,2-4,8,20H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-acetamido-N-[2-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)benzamide?
3-acetamido-N-[2-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)benzamide has a molecular weight of 343.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 119602942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).