(2S)-2-[[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]-2-phenylacetamide

C18H19F2N3O — CID 95322499

IUPAC(2S)-2-[[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]-2-phenylacetamide
SMILESNC(=O)[C@@H](N[C@H]1CCN(c2ccc(F)cc2F)C1)c1ccccc1
InChIInChI=1S/C18H19F2N3O/c19-13-6-7-16(15(20)10-13)23-9-8-14(11-23)22-17(18(21)24)12-4-2-1-3-5-12/h1-7,10,14,17,22H,8-9,11H2,(H2,21,24)/t14-,17-/m0/s1
InChIKeyGNUYOJSBQATDRA-YOEHRIQHSA-N
MW331.37 g/mol
LogP2.36
Rot. Bonds5

About (2S)-2-[[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]-2-phenylacetamide

(2S)-2-[[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]-2-phenylacetamide (PubChem CID 95322499) has the molecular formula C18H19F2N3O and a molecular weight of 331.37 g/mol. Its IUPAC name is (2S)-2-[[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]-2-phenylacetamide
PubChem CID95322499
Molecular FormulaC18H19F2N3O
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name(2S)-2-[[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]-2-phenylacetamide
SMILESNC(=O)[C@@H](N[C@H]1CCN(c2ccc(F)cc2F)C1)c1ccccc1
InChIInChI=1S/C18H19F2N3O/c19-13-6-7-16(15(20)10-13)23-9-8-14(11-23)22-17(18(21)24)12-4-2-1-3-5-12/h1-7,10,14,17,22H,8-9,11H2,(H2,21,24)/t14-,17-/m0/s1
InChIKeyGNUYOJSBQATDRA-YOEHRIQHSA-N
XLogP2.36
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-N'-phenyloxamide
CID 95614867
(2R)-2-phenyl-2-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]acetamide
CID 94770337
(2S)-2-phenyl-2-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]acetamide
CID 94770331
(2R)-2-[[1-(2,4-difluorophenyl)piperidin-4-yl]amino]-3-phenylpropanoic acid
CID 122037935
2-(cyclopropylamino)-2-(2,4-difluorophenyl)acetamide
CID 60796444
(2R)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide
CID 98761227
[1-(2-amino-4-fluorophenyl)pyrrolidin-3-yl]carbamic acid
CID 118296358
4-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide
CID 75478044
4-[[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide
CID 97307055
(2R)-2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-phenylacetamide
CID 95582106
N-[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-[methyl(propan-2-yl)amino]acetamide
CID 95348554
5-[[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 124682768

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]-2-phenylacetamide?
The IUPAC name of (2S)-2-[[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]-2-phenylacetamide (CID 95322499) is (2S)-2-[[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]-2-phenylacetamide is NC(=O)[C@@H](N[C@H]1CCN(c2ccc(F)cc2F)C1)c1ccccc1.
What is the InChIKey of (2S)-2-[[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]-2-phenylacetamide?
The InChIKey is GNUYOJSBQATDRA-YOEHRIQHSA-N. The full InChI is InChI=1S/C18H19F2N3O/c19-13-6-7-16(15(20)10-13)23-9-8-14(11-23)22-17(18(21)24)12-4-2-1-3-5-12/h1-7,10,14,17,22H,8-9,11H2,(H2,21,24)/t14-,17-/m0/s1.
What are the key properties of (2S)-2-[[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]-2-phenylacetamide?
(2S)-2-[[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]-2-phenylacetamide has a molecular weight of 331.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]-2-phenylacetamide is sourced from PubChem (CID 95322499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).