N-(2-chloro-4,6-dimethylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide

C15H21ClN2O2 — CID 111333976

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
SMILESCc1cc(C)c(NC(=O)C(C)N2CC[C@H](O)C2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-9-6-10(2)14(13(16)7-9)17-15(20)11(3)18-5-4-12(19)8-18/h6-7,11-12,19H,4-5,8H2,1-3H3,(H,17,20)/t11?,12-/m0/s1
InChIKeyNCSVJBFVKVBLFD-KIYNQFGBSA-N
MW296.80 g/mol
LogP2.35
Rot. Bonds3

About N-(2-chloro-4,6-dimethylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide

N-(2-chloro-4,6-dimethylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide (PubChem CID 111333976) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
PubChem CID111333976
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
SMILESCc1cc(C)c(NC(=O)C(C)N2CC[C@H](O)C2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-9-6-10(2)14(13(16)7-9)17-15(20)11(3)18-5-4-12(19)8-18/h6-7,11-12,19H,4-5,8H2,1-3H3,(H,17,20)/t11?,12-/m0/s1
InChIKeyNCSVJBFVKVBLFD-KIYNQFGBSA-N
XLogP2.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-[1-(2-chloro-4,6-dimethylanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 60512452
N-(4-chlorophenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111332533
N-(2-fluoro-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111333977
N-(5-amino-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62941496
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylpropanamide
CID 78962370
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 120774348
2-(4-cyclopentylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 86928056
2-(4-oxopiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 82342693
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide
CID 66291565
N-(2-chloro-4,6-dimethylphenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 55540699
N-(3-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62916842
1-(2-chloro-4,6-dimethylphenyl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 72914943

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide (CID 111333976) is N-(2-chloro-4,6-dimethylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide is Cc1cc(C)c(NC(=O)C(C)N2CC[C@H](O)C2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide?
The InChIKey is NCSVJBFVKVBLFD-KIYNQFGBSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-9-6-10(2)14(13(16)7-9)17-15(20)11(3)18-5-4-12(19)8-18/h6-7,11-12,19H,4-5,8H2,1-3H3,(H,17,20)/t11?,12-/m0/s1.
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide?
N-(2-chloro-4,6-dimethylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide has a molecular weight of 296.80 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide is sourced from PubChem (CID 111333976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).