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

C15H21ClN2O2 — CID 111333889

IUPACN-[1-(4-chlorophenyl)ethyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
SMILESCC(NC(=O)C(C)N1CC[C@H](O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2/c1-10(12-3-5-13(16)6-4-12)17-15(20)11(2)18-8-7-14(19)9-18/h3-6,10-11,14,19H,7-9H2,1-2H3,(H,17,20)/t10?,11?,14-/m0/s1
InChIKeyVNFXFQXCYIGNEA-MGULZYLOSA-N
MW296.80 g/mol
LogP1.97
Rot. Bonds4

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

N-[1-(4-chlorophenyl)ethyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide (PubChem CID 111333889) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
PubChem CID111333889
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
SMILESCC(NC(=O)C(C)N1CC[C@H](O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2/c1-10(12-3-5-13(16)6-4-12)17-15(20)11(2)18-8-7-14(19)9-18/h3-6,10-11,14,19H,7-9H2,1-2H3,(H,17,20)/t10?,11?,14-/m0/s1
InChIKeyVNFXFQXCYIGNEA-MGULZYLOSA-N
XLogP1.97
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111332568
N-(4-chlorophenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111332533
N-[1-(4-chlorophenyl)ethyl]-2-(3-methoxypiperidin-1-yl)propanamide
CID 166189153
N-[1-(4-chlorophenyl)ethyl]-2-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide
CID 86919422
1-[2-amino-1-(4-chlorophenyl)propyl]pyrrolidin-3-ol
CID 62942234
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide
CID 66291565
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylpropanamide
CID 78962370
2-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)propanamide
CID 46800680
N-(2-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62942601
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 46744278
N-[1-(4-chlorophenyl)ethyl]-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]propanamide
CID 78897620
N-benzhydryl-2-(4-hydroxypiperidin-1-yl)propanamide
CID 51167538

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide (CID 111333889) is N-[1-(4-chlorophenyl)ethyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide is CC(NC(=O)C(C)N1CC[C@H](O)C1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide?
The InChIKey is VNFXFQXCYIGNEA-MGULZYLOSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-10(12-3-5-13(16)6-4-12)17-15(20)11(2)18-8-7-14(19)9-18/h3-6,10-11,14,19H,7-9H2,1-2H3,(H,17,20)/t10?,11?,14-/m0/s1.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide?
N-[1-(4-chlorophenyl)ethyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide has a molecular weight of 296.80 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide is sourced from PubChem (CID 111333889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).