2-(3-chloro-4-hydroxyphenyl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]acetamide

C13H17ClN2O3 — CID 99991938

IUPAC2-(3-chloro-4-hydroxyphenyl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]acetamide
SMILESO=C(Cc1ccc(O)c(Cl)c1)NC[C@]1(O)CCNC1
InChIInChI=1S/C13H17ClN2O3/c14-10-5-9(1-2-11(10)17)6-12(18)16-8-13(19)3-4-15-7-13/h1-2,5,15,17,19H,3-4,6-8H2,(H,16,18)/t13-/m0/s1
InChIKeyOLZZEKCWTAJWRH-ZDUSSCGKSA-N
MW284.74 g/mol
LogP0.43
Rot. Bonds4

About 2-(3-chloro-4-hydroxyphenyl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]acetamide

2-(3-chloro-4-hydroxyphenyl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]acetamide (PubChem CID 99991938) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 2-(3-chloro-4-hydroxyphenyl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-hydroxyphenyl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]acetamide
PubChem CID99991938
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name2-(3-chloro-4-hydroxyphenyl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]acetamide
SMILESO=C(Cc1ccc(O)c(Cl)c1)NC[C@]1(O)CCNC1
InChIInChI=1S/C13H17ClN2O3/c14-10-5-9(1-2-11(10)17)6-12(18)16-8-13(19)3-4-15-7-13/h1-2,5,15,17,19H,3-4,6-8H2,(H,16,18)/t13-/m0/s1
InChIKeyOLZZEKCWTAJWRH-ZDUSSCGKSA-N
XLogP0.43
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 50.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)propanamide
CID 114760850
2-chloro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide;hydrochloride
CID 154901624
1-(3-chlorophenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea
CID 125169589
N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-3-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 126447612
3-chloro-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]thiophene-2-carboxamide
CID 125444851
1-(3-chloro-4-methoxyphenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea
CID 125169385
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 56911658
2-(3,4-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 115701267
2-(3,4-dichlorophenyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751097
N-[(3-hydroxypyrrolidin-3-yl)methyl]-1-benzofuran-2-carboxamide
CID 114760777
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,4-dimethylbenzamide
CID 114760620
3-(1,3-dihydroisoindol-2-yl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]propanamide
CID 124752089

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]acetamide (CID 99991938) is 2-(3-chloro-4-hydroxyphenyl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-hydroxyphenyl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-hydroxyphenyl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]acetamide is O=C(Cc1ccc(O)c(Cl)c1)NC[C@]1(O)CCNC1.
What is the InChIKey of 2-(3-chloro-4-hydroxyphenyl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]acetamide?
The InChIKey is OLZZEKCWTAJWRH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c14-10-5-9(1-2-11(10)17)6-12(18)16-8-13(19)3-4-15-7-13/h1-2,5,15,17,19H,3-4,6-8H2,(H,16,18)/t13-/m0/s1.
What are the key properties of 2-(3-chloro-4-hydroxyphenyl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]acetamide?
2-(3-chloro-4-hydroxyphenyl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]acetamide has a molecular weight of 284.74 g/mol, XLogP of 0.43, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-hydroxyphenyl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 99991938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).