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

C15H18F3N3O2 — CID 119726163

IUPAC4-[(3-aminocyclopentanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESNC1CCC(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)C1
InChIInChI=1S/C15H18F3N3O2/c16-15(17,18)8-20-13(22)9-2-5-12(6-3-9)21-14(23)10-1-4-11(19)7-10/h2-3,5-6,10-11H,1,4,7-8,19H2,(H,20,22)(H,21,23)
InChIKeyIWGCLIUUSWITEA-UHFFFAOYSA-N
MW329.32 g/mol
LogP2.04
Rot. Bonds4

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

4-[(3-aminocyclopentanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 119726163) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is 4-[(3-aminocyclopentanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[(3-aminocyclopentanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID119726163
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC Name4-[(3-aminocyclopentanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESNC1CCC(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)C1
InChIInChI=1S/C15H18F3N3O2/c16-15(17,18)8-20-13(22)9-2-5-12(6-3-9)21-14(23)10-1-4-11(19)7-10/h2-3,5-6,10-11H,1,4,7-8,19H2,(H,20,22)(H,21,23)
InChIKeyIWGCLIUUSWITEA-UHFFFAOYSA-N
XLogP2.04
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-aminocyclopentanecarbonyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 119726113
3-amino-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119726164
3-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670664
3-amino-N-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 66031270
methyl 4-[(3-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride
CID 119671365
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946
4-[(3-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide;hydrochloride
CID 119739172
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
4-[(3-aminocyclohexanecarbonyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride
CID 119718400
methyl 3-[[4-[(3-aminocyclohexanecarbonyl)amino]benzoyl]amino]propanoate;hydrochloride
CID 119701343
3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119711689
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminocyclopentanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[(3-aminocyclopentanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide (CID 119726163) is 4-[(3-aminocyclopentanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[(3-aminocyclopentanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[(3-aminocyclopentanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide is NC1CCC(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)C1.
What is the InChIKey of 4-[(3-aminocyclopentanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is IWGCLIUUSWITEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c16-15(17,18)8-20-13(22)9-2-5-12(6-3-9)21-14(23)10-1-4-11(19)7-10/h2-3,5-6,10-11H,1,4,7-8,19H2,(H,20,22)(H,21,23).
What are the key properties of 4-[(3-aminocyclopentanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide?
4-[(3-aminocyclopentanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 329.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminocyclopentanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 119726163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).