N-[(2-hydroxycyclopentyl)methyl]-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide

C16H19F3N2O3 — CID 111566950

IUPACN-[(2-hydroxycyclopentyl)methyl]-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide
SMILESCc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCC1CCCC1O
InChIInChI=1S/C16H19F3N2O3/c1-9-5-6-11(16(17,18)19)7-12(9)21-15(24)14(23)20-8-10-3-2-4-13(10)22/h5-7,10,13,22H,2-4,8H2,1H3,(H,20,23)(H,21,24)
InChIKeyIOWVNSJPWSIQFD-UHFFFAOYSA-N
MW344.33 g/mol
LogP2.23
Rot. Bonds3

About N-[(2-hydroxycyclopentyl)methyl]-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide

N-[(2-hydroxycyclopentyl)methyl]-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide (PubChem CID 111566950) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide
PubChem CID111566950
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide
SMILESCc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCC1CCCC1O
InChIInChI=1S/C16H19F3N2O3/c1-9-5-6-11(16(17,18)19)7-12(9)21-15(24)14(23)20-8-10-3-2-4-13(10)22/h5-7,10,13,22H,2-4,8H2,1H3,(H,20,23)(H,21,24)
InChIKeyIOWVNSJPWSIQFD-UHFFFAOYSA-N
XLogP2.23
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide
CID 111566922
N'-(2-chloro-5-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490935
2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119706448
2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 143016974
N'-(2,4-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490962
(2S)-N-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 66478130
2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide
CID 66475481
N'-(3,4-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490961
N'-(1-hydroxybutan-2-yl)-N-[2-methyl-5-(trifluoromethyl)phenyl]oxamide
CID 111566618
N-[(2-hydroxycyclopentyl)methyl]-2-nitro-4-(trifluoromethyl)benzamide
CID 111471387
N'-(4-chloro-3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490898
1-butyl-3-[2-methyl-5-(trifluoromethyl)phenyl]urea
CID 115670789

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide (CID 111566950) is N-[(2-hydroxycyclopentyl)methyl]-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide is Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCC1CCCC1O.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide?
The InChIKey is IOWVNSJPWSIQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c1-9-5-6-11(16(17,18)19)7-12(9)21-15(24)14(23)20-8-10-3-2-4-13(10)22/h5-7,10,13,22H,2-4,8H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide?
N-[(2-hydroxycyclopentyl)methyl]-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide has a molecular weight of 344.33 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 111566950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).