2-(3,4-difluorophenyl)-N-hydroxy-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]acetamide

C20H22F2N2O3 — CID 18392004

IUPAC2-(3,4-difluorophenyl)-N-hydroxy-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]acetamide
SMILESO=C(Cc1ccc(F)c(F)c1)N(O)[C@H](CN1CC[C@H](O)C1)c1ccccc1
InChIInChI=1S/C20H22F2N2O3/c21-17-7-6-14(10-18(17)22)11-20(26)24(27)19(15-4-2-1-3-5-15)13-23-9-8-16(25)12-23/h1-7,10,16,19,25,27H,8-9,11-13H2/t16-,19+/m0/s1
InChIKeyCVUDTPKONPFLLK-QFBILLFUSA-N
MW376.40 g/mol
LogP2.53
Rot. Bonds6

About 2-(3,4-difluorophenyl)-N-hydroxy-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]acetamide

2-(3,4-difluorophenyl)-N-hydroxy-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]acetamide (PubChem CID 18392004) has the molecular formula C20H22F2N2O3 and a molecular weight of 376.40 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-hydroxy-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-hydroxy-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]acetamide
PubChem CID18392004
Molecular FormulaC20H22F2N2O3
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC Name2-(3,4-difluorophenyl)-N-hydroxy-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]acetamide
SMILESO=C(Cc1ccc(F)c(F)c1)N(O)[C@H](CN1CC[C@H](O)C1)c1ccccc1
InChIInChI=1S/C20H22F2N2O3/c21-17-7-6-14(10-18(17)22)11-20(26)24(27)19(15-4-2-1-3-5-15)13-23-9-8-16(25)12-23/h1-7,10,16,19,25,27H,8-9,11-13H2/t16-,19+/m0/s1
InChIKeyCVUDTPKONPFLLK-QFBILLFUSA-N
XLogP2.53
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dichlorophenyl)-N-hydroxy-N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]acetamide
CID 18687590
2-(3,4-dichlorophenyl)-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N'-methylacetohydrazide
CID 139788084
2-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-N-[(1S)-2-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methylacetamide
CID 159694946
N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2-(3-nitrophenyl)acetamide
CID 18653199
N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2-(4-nitrophenyl)acetamide
CID 57021853
N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 11304930
2-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methylacetamide
CID 58689371
N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide
CID 71731407
N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-2-(N-methylanilino)acetamide
CID 21074159
N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide;sulfane
CID 157242567
2-[3-(carbamoylamino)phenyl]-N-[(1R)-2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methylacetamide
CID 67854380
2-(3,4-dichlorophenyl)-N-hydroxy-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide
CID 18938999

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-hydroxy-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-hydroxy-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]acetamide (CID 18392004) is 2-(3,4-difluorophenyl)-N-hydroxy-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-hydroxy-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-hydroxy-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]acetamide is O=C(Cc1ccc(F)c(F)c1)N(O)[C@H](CN1CC[C@H](O)C1)c1ccccc1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-hydroxy-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]acetamide?
The InChIKey is CVUDTPKONPFLLK-QFBILLFUSA-N. The full InChI is InChI=1S/C20H22F2N2O3/c21-17-7-6-14(10-18(17)22)11-20(26)24(27)19(15-4-2-1-3-5-15)13-23-9-8-16(25)12-23/h1-7,10,16,19,25,27H,8-9,11-13H2/t16-,19+/m0/s1.
What are the key properties of 2-(3,4-difluorophenyl)-N-hydroxy-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]acetamide?
2-(3,4-difluorophenyl)-N-hydroxy-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]acetamide has a molecular weight of 376.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-hydroxy-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]acetamide is sourced from PubChem (CID 18392004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).