N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2,4,5-trimethylbenzamide;hydrochloride

C14H21ClN2O2 — CID 154910936

IUPACN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2,4,5-trimethylbenzamide;hydrochloride
SMILESCc1cc(C)c(C(=O)N[C@@H]2CNC[C@H]2O)cc1C.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-8-4-10(3)11(5-9(8)2)14(18)16-12-6-15-7-13(12)17;/h4-5,12-13,15,17H,6-7H2,1-3H3,(H,16,18);1H/t12-,13-;/m1./s1
InChIKeyLETHJVFFJGGZGK-OJERSXHUSA-N
MW284.79 g/mol
LogP1.10
Rot. Bonds2

About N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2,4,5-trimethylbenzamide;hydrochloride

N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2,4,5-trimethylbenzamide;hydrochloride (PubChem CID 154910936) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2,4,5-trimethylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2,4,5-trimethylbenzamide;hydrochloride
PubChem CID154910936
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2,4,5-trimethylbenzamide;hydrochloride
SMILESCc1cc(C)c(C(=O)N[C@@H]2CNC[C@H]2O)cc1C.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-8-4-10(3)11(5-9(8)2)14(18)16-12-6-15-7-13(12)17;/h4-5,12-13,15,17H,6-7H2,1-3H3,(H,16,18);1H/t12-,13-;/m1./s1
InChIKeyLETHJVFFJGGZGK-OJERSXHUSA-N
XLogP1.10
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]acetamide;hydrochloride
CID 67315196
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide
CID 58396031
azetidin-3-yl-(2,4,5-trimethylphenyl)methanone
CID 116583626
1-[(3,4-dimethylphenyl)methyl]-3-[(3R,4R)-4-hydroxypyrrolidin-3-yl]urea
CID 121498164
5-amino-N-(2-hydroxycyclohexyl)-2,4-dimethylbenzamide
CID 102705498
2,4,5-trimethyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271836
4-bromo-N-[(1R,2S,3R)-2,3-dihydroxycyclohexyl]-2,5-dimethylbenzamide
CID 166315871
N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-bromo-2-methylbenzamide
CID 65312004
5-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzamide
CID 104956752
2,4-difluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449965
4-bromo-2-methyl-N-(3-methylpiperidin-4-yl)benzamide
CID 120554553
4-bromo-2-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451440

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2,4,5-trimethylbenzamide;hydrochloride?
The IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2,4,5-trimethylbenzamide;hydrochloride (CID 154910936) is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2,4,5-trimethylbenzamide;hydrochloride.
What is the SMILES notation for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2,4,5-trimethylbenzamide;hydrochloride?
The canonical SMILES for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2,4,5-trimethylbenzamide;hydrochloride is Cc1cc(C)c(C(=O)N[C@@H]2CNC[C@H]2O)cc1C.Cl.
What is the InChIKey of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2,4,5-trimethylbenzamide;hydrochloride?
The InChIKey is LETHJVFFJGGZGK-OJERSXHUSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-8-4-10(3)11(5-9(8)2)14(18)16-12-6-15-7-13(12)17;/h4-5,12-13,15,17H,6-7H2,1-3H3,(H,16,18);1H/t12-,13-;/m1./s1.
What are the key properties of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2,4,5-trimethylbenzamide;hydrochloride?
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2,4,5-trimethylbenzamide;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2,4,5-trimethylbenzamide;hydrochloride is sourced from PubChem (CID 154910936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).