N-[2-[(1-hydroxycyclopentanecarbonyl)amino]ethyl]-4-(trifluoromethyl)benzamide

C16H19F3N2O3 — CID 110907156

IUPACN-[2-[(1-hydroxycyclopentanecarbonyl)amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCCNC(=O)C1(O)CCCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H19F3N2O3/c17-16(18,19)12-5-3-11(4-6-12)13(22)20-9-10-21-14(23)15(24)7-1-2-8-15/h3-6,24H,1-2,7-10H2,(H,20,22)(H,21,23)
InChIKeyJHBAICBDIVDIPK-UHFFFAOYSA-N
MW344.33 g/mol
LogP1.86
Rot. Bonds5

About N-[2-[(1-hydroxycyclopentanecarbonyl)amino]ethyl]-4-(trifluoromethyl)benzamide

N-[2-[(1-hydroxycyclopentanecarbonyl)amino]ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 110907156) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is N-[2-[(1-hydroxycyclopentanecarbonyl)amino]ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[(1-hydroxycyclopentanecarbonyl)amino]ethyl]-4-(trifluoromethyl)benzamide
PubChem CID110907156
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC NameN-[2-[(1-hydroxycyclopentanecarbonyl)amino]ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCCNC(=O)C1(O)CCCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H19F3N2O3/c17-16(18,19)12-5-3-11(4-6-12)13(22)20-9-10-21-14(23)15(24)7-1-2-8-15/h3-6,24H,1-2,7-10H2,(H,20,22)(H,21,23)
InChIKeyJHBAICBDIVDIPK-UHFFFAOYSA-N
XLogP1.86
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 108537709
3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108543008
N-[2-[(1-aminocyclopentanecarbonyl)amino]ethyl]-4-fluorobenzamide;hydrochloride
CID 119299556
1-[[[4-(trifluoromethyl)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 81369259
3,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 34496972
N-[2-(sulfamoylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 75402734
N-[2-[(1-hydroxycyclohexanecarbonyl)amino]ethyl]-3-methoxybenzamide
CID 122150789
1-[[4-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 45427620
N-[2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 110990591
N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 3327071
N-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]-4-fluorobenzamide;hydrochloride
CID 119742010
N-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 34508335

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-hydroxycyclopentanecarbonyl)amino]ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[(1-hydroxycyclopentanecarbonyl)amino]ethyl]-4-(trifluoromethyl)benzamide (CID 110907156) is N-[2-[(1-hydroxycyclopentanecarbonyl)amino]ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[(1-hydroxycyclopentanecarbonyl)amino]ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[(1-hydroxycyclopentanecarbonyl)amino]ethyl]-4-(trifluoromethyl)benzamide is O=C(NCCNC(=O)C1(O)CCCC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[(1-hydroxycyclopentanecarbonyl)amino]ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is JHBAICBDIVDIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c17-16(18,19)12-5-3-11(4-6-12)13(22)20-9-10-21-14(23)15(24)7-1-2-8-15/h3-6,24H,1-2,7-10H2,(H,20,22)(H,21,23).
What are the key properties of N-[2-[(1-hydroxycyclopentanecarbonyl)amino]ethyl]-4-(trifluoromethyl)benzamide?
N-[2-[(1-hydroxycyclopentanecarbonyl)amino]ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 344.33 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-hydroxycyclopentanecarbonyl)amino]ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 110907156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).