3-acetamido-3-(4-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride

C16H23Cl2N3O3 — CID 120946780

IUPAC3-acetamido-3-(4-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
SMILESCC(=O)NC(CC(=O)NCC1CNCC1O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C16H22ClN3O3.ClH/c1-10(21)20-14(11-2-4-13(17)5-3-11)6-16(23)19-8-12-7-18-9-15(12)22;/h2-5,12,14-15,18,22H,6-9H2,1H3,(H,19,23)(H,20,21);1H
InChIKeyNYRQGYVIJXUEHJ-UHFFFAOYSA-N
MW376.28 g/mol
LogP1.03
Rot. Bonds6

About 3-acetamido-3-(4-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride

3-acetamido-3-(4-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride (PubChem CID 120946780) has the molecular formula C16H23Cl2N3O3 and a molecular weight of 376.28 g/mol. Its IUPAC name is 3-acetamido-3-(4-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-acetamido-3-(4-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
PubChem CID120946780
Molecular FormulaC16H23Cl2N3O3
Molecular Weight376.28 g/mol
Exact Mass375.11
IUPAC Name3-acetamido-3-(4-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
SMILESCC(=O)NC(CC(=O)NCC1CNCC1O)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C16H22ClN3O3.ClH/c1-10(21)20-14(11-2-4-13(17)5-3-11)6-16(23)19-8-12-7-18-9-15(12)22;/h2-5,12,14-15,18,22H,6-9H2,1H3,(H,19,23)(H,20,21);1H
InChIKeyNYRQGYVIJXUEHJ-UHFFFAOYSA-N
XLogP1.03
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenylpropanamide;hydrochloride
CID 120943111
N-[3-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-oxo-1-phenylpropyl]benzamide;hydrochloride
CID 120945393
3-acetamido-3-(4-chlorophenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119432712
4-(4-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-oxobutanamide
CID 120945324
3-acetamido-3-(4-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119463786
(3R)-3-acetamido-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 51980916
(3R)-3-acetamido-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 51923223
(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
CID 52516198
(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]propanamide
CID 95352314
(3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 40939423
ethyl (3R)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11425680
3-(2-chlorophenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
CID 120944601

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride?
The IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride (CID 120946780) is 3-acetamido-3-(4-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-acetamido-3-(4-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride?
The canonical SMILES for 3-acetamido-3-(4-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride is CC(=O)NC(CC(=O)NCC1CNCC1O)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 3-acetamido-3-(4-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride?
The InChIKey is NYRQGYVIJXUEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3.ClH/c1-10(21)20-14(11-2-4-13(17)5-3-11)6-16(23)19-8-12-7-18-9-15(12)22;/h2-5,12,14-15,18,22H,6-9H2,1H3,(H,19,23)(H,20,21);1H.
What are the key properties of 3-acetamido-3-(4-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride?
3-acetamido-3-(4-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride has a molecular weight of 376.28 g/mol, XLogP of 1.03, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 120946780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).