N-(3-chlorophenyl)-3-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propanamide

C14H19ClN2O3 — CID 91839342

IUPACN-(3-chlorophenyl)-3-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
SMILESO=C(CCN1CCC(O)(CO)C1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O3/c15-11-2-1-3-12(8-11)16-13(19)4-6-17-7-5-14(20,9-17)10-18/h1-3,8,18,20H,4-7,9-10H2,(H,16,19)
InChIKeyQUZBDJNMHZTXMN-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.10
Rot. Bonds5

About N-(3-chlorophenyl)-3-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propanamide

N-(3-chlorophenyl)-3-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propanamide (PubChem CID 91839342) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
PubChem CID91839342
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC NameN-(3-chlorophenyl)-3-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
SMILESO=C(CCN1CCC(O)(CO)C1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H19ClN2O3/c15-11-2-1-3-12(8-11)16-13(19)4-6-17-7-5-14(20,9-17)10-18/h1-3,8,18,20H,4-7,9-10H2,(H,16,19)
InChIKeyQUZBDJNMHZTXMN-UHFFFAOYSA-N
XLogP1.10
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(3-chlorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
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3-[(4aR,8aR)-7-acetyl-4a-hydroxy-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-N-(3-chlorophenyl)propanamide
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3-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)propanamide;hydrochloride
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1-(3-anilino-3-oxopropyl)-3-methylpyrrolidine-3-carboxylic acid
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3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-chlorophenyl)propanamide
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N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-(3-chlorophenyl)-3-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propanamide (CID 91839342) is N-(3-chlorophenyl)-3-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propanamide is O=C(CCN1CCC(O)(CO)C1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The InChIKey is QUZBDJNMHZTXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c15-11-2-1-3-12(8-11)16-13(19)4-6-17-7-5-14(20,9-17)10-18/h1-3,8,18,20H,4-7,9-10H2,(H,16,19).
What are the key properties of N-(3-chlorophenyl)-3-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
N-(3-chlorophenyl)-3-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propanamide has a molecular weight of 298.77 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 91839342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).