N-(2,5-difluorophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide

C14H18F2N2O2 — CID 124752804

IUPACN-(2,5-difluorophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide
SMILESCO[C@@H]1CCN(CCC(=O)Nc2cc(F)ccc2F)C1
InChIInChI=1S/C14H18F2N2O2/c1-20-11-4-6-18(9-11)7-5-14(19)17-13-8-10(15)2-3-12(13)16/h2-3,8,11H,4-7,9H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyKKVJZPKOHCYYIL-LLVKDONJSA-N
MW284.31 g/mol
LogP2.01
Rot. Bonds5

About N-(2,5-difluorophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide

N-(2,5-difluorophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide (PubChem CID 124752804) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide
PubChem CID124752804
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC NameN-(2,5-difluorophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide
SMILESCO[C@@H]1CCN(CCC(=O)Nc2cc(F)ccc2F)C1
InChIInChI=1S/C14H18F2N2O2/c1-20-11-4-6-18(9-11)7-5-14(19)17-13-8-10(15)2-3-12(13)16/h2-3,8,11H,4-7,9H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyKKVJZPKOHCYYIL-LLVKDONJSA-N
XLogP2.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-acetamidopiperidin-1-yl)-N-(2,5-difluorophenyl)propanamide
CID 91841794
N-(3-acetamidophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide
CID 124730854
N-(2,4-difluorophenyl)-2-(4-methoxypiperidin-1-yl)acetamide
CID 47131519
N-(3-amino-4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide
CID 103530777
N-(3-amino-4-fluorophenyl)-3-(3-methoxypiperidin-1-yl)propanamide
CID 102956413
N-(2-amino-4-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
CID 43372578
N-(2-amino-4-fluorophenyl)-3-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 102955989
N-(2,5-difluorophenyl)-3-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]propanamide
CID 91837450
N-(5-amino-2-fluorophenyl)-3-(3-pyridin-3-yloxypyrrolidin-1-yl)propanamide
CID 126807162
N-(4-carbamothioylphenyl)-3-(3-methoxypyrrolidin-1-yl)propanamide
CID 103533739
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride
CID 119933718
N-(2,5-difluorophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267293

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide?
The IUPAC name of N-(2,5-difluorophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide (CID 124752804) is N-(2,5-difluorophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(2,5-difluorophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide is CO[C@@H]1CCN(CCC(=O)Nc2cc(F)ccc2F)C1.
What is the InChIKey of N-(2,5-difluorophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide?
The InChIKey is KKVJZPKOHCYYIL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-20-11-4-6-18(9-11)7-5-14(19)17-13-8-10(15)2-3-12(13)16/h2-3,8,11H,4-7,9H2,1H3,(H,17,19)/t11-/m1/s1.
What are the key properties of N-(2,5-difluorophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide?
N-(2,5-difluorophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide has a molecular weight of 284.31 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide is sourced from PubChem (CID 124752804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).