3-[(3-aminocyclopentanecarbonyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide

C16H20F3N3O2 — CID 119726113

IUPAC3-[(3-aminocyclopentanecarbonyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)C1CCC(N)C1
InChIInChI=1S/C16H20F3N3O2/c1-9-2-3-11(14(23)21-8-16(17,18)19)7-13(9)22-15(24)10-4-5-12(20)6-10/h2-3,7,10,12H,4-6,8,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyRTIBQVPAAKYOHG-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.35
Rot. Bonds4

About 3-[(3-aminocyclopentanecarbonyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide

3-[(3-aminocyclopentanecarbonyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 119726113) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 3-[(3-aminocyclopentanecarbonyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-[(3-aminocyclopentanecarbonyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID119726113
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Name3-[(3-aminocyclopentanecarbonyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)C1CCC(N)C1
InChIInChI=1S/C16H20F3N3O2/c1-9-2-3-11(14(23)21-8-16(17,18)19)7-13(9)22-15(24)10-4-5-12(20)6-10/h2-3,7,10,12H,4-6,8,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyRTIBQVPAAKYOHG-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-aminocyclopentanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 119726163
3-[(3-aminocyclohexanecarbonyl)amino]-N,4-dimethylbenzamide
CID 63044315
3-amino-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 66030675
(1R,6S)-6-[[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 94599011
3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide
CID 66032471
3-[(3-aminocyclohexanecarbonyl)amino]-4-methyl-N-phenylbenzamide
CID 119712024
3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopentane-1-carboxamide
CID 119895255
3-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 47047691
3-amino-N-(2-methyl-5-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 66008738
3-(hydroxymethyl)-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 86994889
3-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 66031082
3-methyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55784735

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminocyclopentanecarbonyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-[(3-aminocyclopentanecarbonyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 119726113) is 3-[(3-aminocyclopentanecarbonyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-[(3-aminocyclopentanecarbonyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-[(3-aminocyclopentanecarbonyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide is Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)C1CCC(N)C1.
What is the InChIKey of 3-[(3-aminocyclopentanecarbonyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is RTIBQVPAAKYOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-9-2-3-11(14(23)21-8-16(17,18)19)7-13(9)22-15(24)10-4-5-12(20)6-10/h2-3,7,10,12H,4-6,8,20H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-[(3-aminocyclopentanecarbonyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide?
3-[(3-aminocyclopentanecarbonyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 343.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminocyclopentanecarbonyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 119726113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).