N-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(methylamino)acetamide

C14H19F2N3O — CID 100647189

IUPACN-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H19F2N3O/c1-17-8-14(20)18-7-10-4-5-19(9-10)11-2-3-12(15)13(16)6-11/h2-3,6,10,17H,4-5,7-9H2,1H3,(H,18,20)/t10-/m1/s1
InChIKeyDAYRIRXHSGGMRA-SNVBAGLBSA-N
MW283.32 g/mol
LogP1.13
Rot. Bonds5

About N-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(methylamino)acetamide

N-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(methylamino)acetamide (PubChem CID 100647189) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is N-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(methylamino)acetamide
PubChem CID100647189
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC NameN-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H19F2N3O/c1-17-8-14(20)18-7-10-4-5-19(9-10)11-2-3-12(15)13(16)6-11/h2-3,6,10,17H,4-5,7-9H2,1H3,(H,18,20)/t10-/m1/s1
InChIKeyDAYRIRXHSGGMRA-SNVBAGLBSA-N
XLogP1.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(methylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,4E)-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]hexa-2,4-dienamide
CID 51093935
N-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-prop-2-enylsulfanylacetamide
CID 94812888
N-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 52511719
N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide
CID 60591659
N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-hydroxycyclopentane-1-carboxamide
CID 110908059
N-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 52508272
N-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 95290703
1-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3-[(3R)-1-methylpiperidin-3-yl]urea
CID 124839917
1-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3-[(2S,3R)-3-methoxybutan-2-yl]urea
CID 99858165
N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 51126349
1-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3-[(2S,3S)-2-methyloxolan-3-yl]urea
CID 129421262
1-(1-cyclopropylpiperidin-4-yl)-3-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]urea
CID 51126571

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(methylamino)acetamide?
The IUPAC name of N-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(methylamino)acetamide (CID 100647189) is N-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(methylamino)acetamide is CNCC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1.
What is the InChIKey of N-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(methylamino)acetamide?
The InChIKey is DAYRIRXHSGGMRA-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-17-8-14(20)18-7-10-4-5-19(9-10)11-2-3-12(15)13(16)6-11/h2-3,6,10,17H,4-5,7-9H2,1H3,(H,18,20)/t10-/m1/s1.
What are the key properties of N-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(methylamino)acetamide?
N-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(methylamino)acetamide has a molecular weight of 283.32 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(methylamino)acetamide is sourced from PubChem (CID 100647189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).