(2R)-N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide

C14H18Cl2N2O3 — CID 124591683

IUPAC(2R)-N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide
SMILESO=C(NC[C@H](O)COc1cccc(Cl)c1Cl)[C@H]1CCCN1
InChIInChI=1S/C14H18Cl2N2O3/c15-10-3-1-5-12(13(10)16)21-8-9(19)7-18-14(20)11-4-2-6-17-11/h1,3,5,9,11,17,19H,2,4,6-8H2,(H,18,20)/t9-,11+/m0/s1
InChIKeyOXBZDOBAVDTQPX-GXSJLCMTSA-N
MW333.22 g/mol
LogP1.60
Rot. Bonds6

About (2R)-N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide

(2R)-N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide (PubChem CID 124591683) has the molecular formula C14H18Cl2N2O3 and a molecular weight of 333.22 g/mol. Its IUPAC name is (2R)-N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide
PubChem CID124591683
Molecular FormulaC14H18Cl2N2O3
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC Name(2R)-N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide
SMILESO=C(NC[C@H](O)COc1cccc(Cl)c1Cl)[C@H]1CCCN1
InChIInChI=1S/C14H18Cl2N2O3/c15-10-3-1-5-12(13(10)16)21-8-9(19)7-18-14(20)11-4-2-6-17-11/h1,3,5,9,11,17,19H,2,4,6-8H2,(H,18,20)/t9-,11+/m0/s1
InChIKeyOXBZDOBAVDTQPX-GXSJLCMTSA-N
XLogP1.60
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]morpholine-3-carboxamide
CID 124703892
(2R)-N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide
CID 125118275
1-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-ethylurea
CID 94199882
2-[cyclopropyl(methyl)amino]-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]acetamide
CID 110911251
2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-(oxan-4-yl)acetamide
CID 120790022
N-[2-(2-chlorophenoxy)butyl]piperidine-2-carboxamide
CID 119340528
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidine-2-carboxamide
CID 119849434
1-cyano-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]cyclobutane-1-carboxamide
CID 111434785
N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119751860
(4R)-N-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-4-carboxamide
CID 124568138
N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119305067
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidine-2-carboxamide;hydrochloride
CID 119319070

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide (CID 124591683) is (2R)-N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide is O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide?
The InChIKey is OXBZDOBAVDTQPX-GXSJLCMTSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3/c15-10-3-1-5-12(13(10)16)21-8-9(19)7-18-14(20)11-4-2-6-17-11/h1,3,5,9,11,17,19H,2,4,6-8H2,(H,18,20)/t9-,11+/m0/s1.
What are the key properties of (2R)-N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide?
(2R)-N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide has a molecular weight of 333.22 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 124591683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).