3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide

C16H20F3N3O2 — CID 119732249

IUPAC3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide
SMILESCN(Cc1cccc(NC(=O)C2CCC(N)C2)c1)C(=O)C(F)(F)F
InChIInChI=1S/C16H20F3N3O2/c1-22(15(24)16(17,18)19)9-10-3-2-4-13(7-10)21-14(23)11-5-6-12(20)8-11/h2-4,7,11-12H,5-6,8-9,20H2,1H3,(H,21,23)
InChIKeyDMKVYKYKRNPEJC-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.27
Rot. Bonds4

About 3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide

3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide (PubChem CID 119732249) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide
PubChem CID119732249
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Name3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide
SMILESCN(Cc1cccc(NC(=O)C2CCC(N)C2)c1)C(=O)C(F)(F)F
InChIInChI=1S/C16H20F3N3O2/c1-22(15(24)16(17,18)19)9-10-3-2-4-13(7-10)21-14(23)11-5-6-12(20)8-11/h2-4,7,11-12H,5-6,8-9,20H2,1H3,(H,21,23)
InChIKeyDMKVYKYKRNPEJC-UHFFFAOYSA-N
XLogP2.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119732638
9-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985748
N-[[3-[(2-aminoacetyl)amino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide
CID 119294226
1-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopropane-1-carboxamide
CID 119732241
N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119294213
2,2,2-trifluoro-N-methyl-N-[[3-[[2-(methylamino)acetyl]amino]phenyl]methyl]acetamide
CID 119732257
3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide
CID 119899017
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 43072108
3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
CID 119732275
(2S)-2-amino-3,3-dimethyl-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
CID 119732261
methyl 2-[[3-[(3-aminocyclopentanecarbonyl)amino]phenyl]methylsulfanyl]acetate
CID 119775531
3-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]cyclopentane-1-carboxamide
CID 119801057

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide (CID 119732249) is 3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide is CN(Cc1cccc(NC(=O)C2CCC(N)C2)c1)C(=O)C(F)(F)F.
What is the InChIKey of 3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide?
The InChIKey is DMKVYKYKRNPEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-22(15(24)16(17,18)19)9-10-3-2-4-13(7-10)21-14(23)11-5-6-12(20)8-11/h2-4,7,11-12H,5-6,8-9,20H2,1H3,(H,21,23).
What are the key properties of 3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide?
3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide has a molecular weight of 343.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119732249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).