4-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]acetyl]benzamide

C13H15ClN2O3 — CID 79031490

IUPAC4-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]acetyl]benzamide
SMILESO=C(CN1CC[C@H](O)C1)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN2O3/c14-10-3-1-9(2-4-10)13(19)15-12(18)8-16-6-5-11(17)7-16/h1-4,11,17H,5-8H2,(H,15,18,19)/t11-/m0/s1
InChIKeyUCALWVFCRZLQFD-NSHDSACASA-N
MW282.73 g/mol
LogP0.66
Rot. Bonds3

About 4-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]acetyl]benzamide

4-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]acetyl]benzamide (PubChem CID 79031490) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 4-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]acetyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]acetyl]benzamide
PubChem CID79031490
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name4-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]acetyl]benzamide
SMILESO=C(CN1CC[C@H](O)C1)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN2O3/c14-10-3-1-9(2-4-10)13(19)15-12(18)8-16-6-5-11(17)7-16/h1-4,11,17H,5-8H2,(H,15,18,19)/t11-/m0/s1
InChIKeyUCALWVFCRZLQFD-NSHDSACASA-N
XLogP0.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3R)-3-aminopiperidin-1-yl]acetyl]-4-chlorobenzamide
CID 102985314
N-(5-chloro-2-pyridinyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 111332524
N'-[2-(3-hydroxypyrrolidin-1-yl)acetyl]benzohydrazide
CID 62916316
N-[2-(3-hydroxypyrrolidin-1-yl)acetyl]-2-phenylacetamide
CID 62916480
4-chloro-N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetyl]benzamide
CID 102788938
4-chloro-N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]benzamide
CID 103358091
N-(5-chloro-2-pyridinyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 94184594
1-(2,4-dichlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62943194
1-(2,4-dichlorophenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 129368588
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 111333934
N-(5-chloro-2-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 110877770
4-chloro-3-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoic acid
CID 60702556

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]acetyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]acetyl]benzamide (CID 79031490) is 4-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]acetyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]acetyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]acetyl]benzamide is O=C(CN1CC[C@H](O)C1)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]acetyl]benzamide?
The InChIKey is UCALWVFCRZLQFD-NSHDSACASA-N. The full InChI is InChI=1S/C13H15ClN2O3/c14-10-3-1-9(2-4-10)13(19)15-12(18)8-16-6-5-11(17)7-16/h1-4,11,17H,5-8H2,(H,15,18,19)/t11-/m0/s1.
What are the key properties of 4-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]acetyl]benzamide?
4-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]acetyl]benzamide has a molecular weight of 282.73 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]acetyl]benzamide is sourced from PubChem (CID 79031490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).