N-(3-acetamido-4-chlorophenyl)-2-cyclopropyl-2-pyrrolidin-1-ylacetamide

C17H22ClN3O2 — CID 86791140

IUPACN-(3-acetamido-4-chlorophenyl)-2-cyclopropyl-2-pyrrolidin-1-ylacetamide
SMILESCC(=O)Nc1cc(NC(=O)C(C2CC2)N2CCCC2)ccc1Cl
InChIInChI=1S/C17H22ClN3O2/c1-11(22)19-15-10-13(6-7-14(15)18)20-17(23)16(12-4-5-12)21-8-2-3-9-21/h6-7,10,12,16H,2-5,8-9H2,1H3,(H,19,22)(H,20,23)
InChIKeyBWMCTTMUEOFVQV-UHFFFAOYSA-N
MW335.84 g/mol
LogP3.11
Rot. Bonds5

About N-(3-acetamido-4-chlorophenyl)-2-cyclopropyl-2-pyrrolidin-1-ylacetamide

N-(3-acetamido-4-chlorophenyl)-2-cyclopropyl-2-pyrrolidin-1-ylacetamide (PubChem CID 86791140) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is N-(3-acetamido-4-chlorophenyl)-2-cyclopropyl-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(3-acetamido-4-chlorophenyl)-2-cyclopropyl-2-pyrrolidin-1-ylacetamide
PubChem CID86791140
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC NameN-(3-acetamido-4-chlorophenyl)-2-cyclopropyl-2-pyrrolidin-1-ylacetamide
SMILESCC(=O)Nc1cc(NC(=O)C(C2CC2)N2CCCC2)ccc1Cl
InChIInChI=1S/C17H22ClN3O2/c1-11(22)19-15-10-13(6-7-14(15)18)20-17(23)16(12-4-5-12)21-8-2-3-9-21/h6-7,10,12,16H,2-5,8-9H2,1H3,(H,19,22)(H,20,23)
InChIKeyBWMCTTMUEOFVQV-UHFFFAOYSA-N
XLogP3.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 47408126
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CID 86845064
N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 46027646
N-(3-acetamido-4-chlorophenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110015470
N-(5-acetamido-2-chlorophenyl)piperidine-4-carboxamide
CID 119280735
N-(5-acetamido-2-chlorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785959
(2R)-N-(4-chlorophenyl)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide
CID 93221645
(2R)-N-(3-chlorophenyl)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide
CID 93221895
N-(3-acetamido-4-chlorophenyl)-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
CID 71870359
N-(5-acetamido-2-chlorophenyl)-3-aminocyclohexane-1-carboxamide
CID 119707616
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-fluorophenyl)acetamide
CID 42843656
N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide
CID 46027642

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-chlorophenyl)-2-cyclopropyl-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(3-acetamido-4-chlorophenyl)-2-cyclopropyl-2-pyrrolidin-1-ylacetamide (CID 86791140) is N-(3-acetamido-4-chlorophenyl)-2-cyclopropyl-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(3-acetamido-4-chlorophenyl)-2-cyclopropyl-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(3-acetamido-4-chlorophenyl)-2-cyclopropyl-2-pyrrolidin-1-ylacetamide is CC(=O)Nc1cc(NC(=O)C(C2CC2)N2CCCC2)ccc1Cl.
What is the InChIKey of N-(3-acetamido-4-chlorophenyl)-2-cyclopropyl-2-pyrrolidin-1-ylacetamide?
The InChIKey is BWMCTTMUEOFVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-11(22)19-15-10-13(6-7-14(15)18)20-17(23)16(12-4-5-12)21-8-2-3-9-21/h6-7,10,12,16H,2-5,8-9H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-(3-acetamido-4-chlorophenyl)-2-cyclopropyl-2-pyrrolidin-1-ylacetamide?
N-(3-acetamido-4-chlorophenyl)-2-cyclopropyl-2-pyrrolidin-1-ylacetamide has a molecular weight of 335.84 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-chlorophenyl)-2-cyclopropyl-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 86791140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).