N-[[(3R)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxycyclohexane-1-carboxamide

C20H29FN2O2 — CID 98271292

IUPACN-[[(3R)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxycyclohexane-1-carboxamide
SMILESCc1c(F)cccc1CN1CC[C@H](CNC(=O)C2CCC(O)CC2)C1
InChIInChI=1S/C20H29FN2O2/c1-14-17(3-2-4-19(14)21)13-23-10-9-15(12-23)11-22-20(25)16-5-7-18(24)8-6-16/h2-4,15-16,18,24H,5-13H2,1H3,(H,22,25)/t15-,16?,18?/m1/s1
InChIKeyQJKXLSFRIWAHJP-KLHKWILBSA-N
MW348.46 g/mol
LogP2.62
Rot. Bonds5

About N-[[(3R)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxycyclohexane-1-carboxamide

N-[[(3R)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxycyclohexane-1-carboxamide (PubChem CID 98271292) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is N-[[(3R)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxycyclohexane-1-carboxamide
PubChem CID98271292
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC NameN-[[(3R)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxycyclohexane-1-carboxamide
SMILESCc1c(F)cccc1CN1CC[C@H](CNC(=O)C2CCC(O)CC2)C1
InChIInChI=1S/C20H29FN2O2/c1-14-17(3-2-4-19(14)21)13-23-10-9-15(12-23)11-22-20(25)16-5-7-18(24)8-6-16/h2-4,15-16,18,24H,5-13H2,1H3,(H,22,25)/t15-,16?,18?/m1/s1
InChIKeyQJKXLSFRIWAHJP-KLHKWILBSA-N
XLogP2.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 95388374
1-[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56744997
1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-amine
CID 11368047
N-[[5-[(3-fluoro-2-methylphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
CID 70786952
1-amino-N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 154884967
N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-3-hydroxypyridine-2-carboxamide
CID 56709536
N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 55081574
1-ethyl-3-[[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]methyl]urea
CID 56739137
(4aR,8aR)-6-[(3-fluoro-2-methylphenyl)methyl]-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
CID 124806330
1-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-3-propan-2-ylurea
CID 56743428
[(3R)-3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 42304355
N-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 95290703

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxycyclohexane-1-carboxamide?
The IUPAC name of N-[[(3R)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxycyclohexane-1-carboxamide (CID 98271292) is N-[[(3R)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[[(3R)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for N-[[(3R)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxycyclohexane-1-carboxamide is Cc1c(F)cccc1CN1CC[C@H](CNC(=O)C2CCC(O)CC2)C1.
What is the InChIKey of N-[[(3R)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxycyclohexane-1-carboxamide?
The InChIKey is QJKXLSFRIWAHJP-KLHKWILBSA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-14-17(3-2-4-19(14)21)13-23-10-9-15(12-23)11-22-20(25)16-5-7-18(24)8-6-16/h2-4,15-16,18,24H,5-13H2,1H3,(H,22,25)/t15-,16?,18?/m1/s1.
What are the key properties of N-[[(3R)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxycyclohexane-1-carboxamide?
N-[[(3R)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxycyclohexane-1-carboxamide has a molecular weight of 348.46 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-4-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 98271292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).