N-(4-chlorophenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide

C13H17ClN2O2 — CID 111332533

IUPACN-(4-chlorophenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1)N1CC[C@@H](O)C1
InChIInChI=1S/C13H17ClN2O2/c1-9(16-7-6-12(17)8-16)13(18)15-11-4-2-10(14)3-5-11/h2-5,9,12,17H,6-8H2,1H3,(H,15,18)/t9?,12-/m1/s1
InChIKeyPYFABFSEKCZHKO-FFFFSGIJSA-N
MW268.74 g/mol
LogP1.73
Rot. Bonds3

About N-(4-chlorophenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide

N-(4-chlorophenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide (PubChem CID 111332533) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
PubChem CID111332533
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-(4-chlorophenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1)N1CC[C@@H](O)C1
InChIInChI=1S/C13H17ClN2O2/c1-9(16-7-6-12(17)8-16)13(18)15-11-4-2-10(14)3-5-11/h2-5,9,12,17H,6-8H2,1H3,(H,15,18)/t9?,12-/m1/s1
InChIKeyPYFABFSEKCZHKO-FFFFSGIJSA-N
XLogP1.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylpropanamide
CID 78962370
N-(4-chlorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 4824476
N-[1-(4-chlorophenyl)ethyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111333889
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 111332468
(2R)-N-(4-chlorophenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 98319058
N-(3-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62916842
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide
CID 111332432
N-(2-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62942601
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide
CID 66291565
3-[1-[1-(4-chloroanilino)-1-oxopropan-2-yl]piperidin-3-yl]propanoic acid
CID 122101314
(2R)-N-(5-chloro-2-pyridinyl)-2-[(3R)-3-hydroxypiperidin-1-yl]propanamide
CID 98762896
1-[1-(4-chloroanilino)-1-oxopropan-2-yl]-N-propylpiperidine-4-carboxamide
CID 51112690

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide (CID 111332533) is N-(4-chlorophenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide is CC(C(=O)Nc1ccc(Cl)cc1)N1CC[C@@H](O)C1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide?
The InChIKey is PYFABFSEKCZHKO-FFFFSGIJSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-9(16-7-6-12(17)8-16)13(18)15-11-4-2-10(14)3-5-11/h2-5,9,12,17H,6-8H2,1H3,(H,15,18)/t9?,12-/m1/s1.
What are the key properties of N-(4-chlorophenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide?
N-(4-chlorophenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide has a molecular weight of 268.74 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide is sourced from PubChem (CID 111332533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).