(2S)-N-(4-chlorophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide

C18H22ClN3O — CID 11935296

IUPAC(2S)-N-(4-chlorophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCC[C@@H]1c1cccn1C
InChIInChI=1S/C18H22ClN3O/c1-13(18(23)20-15-9-7-14(19)8-10-15)22-12-4-6-17(22)16-5-3-11-21(16)2/h3,5,7-11,13,17H,4,6,12H2,1-2H3,(H,20,23)/t13-,17+/m0/s1
InChIKeyLMAVJHYLYKLFRN-SUMWQHHRSA-N
MW331.85 g/mol
LogP3.84
Rot. Bonds4

About (2S)-N-(4-chlorophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide

(2S)-N-(4-chlorophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide (PubChem CID 11935296) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is (2S)-N-(4-chlorophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-chlorophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide
PubChem CID11935296
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name(2S)-N-(4-chlorophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCC[C@@H]1c1cccn1C
InChIInChI=1S/C18H22ClN3O/c1-13(18(23)20-15-9-7-14(19)8-10-15)22-12-4-6-17(22)16-5-3-11-21(16)2/h3,5,7-11,13,17H,4,6,12H2,1-2H3,(H,20,23)/t13-,17+/m0/s1
InChIKeyLMAVJHYLYKLFRN-SUMWQHHRSA-N
XLogP3.84
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-cyanophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide
CID 11924002
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CID 11934289
N-(4-chlorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 4824476
(2S)-N-carbamoyl-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide
CID 8975060
(2R)-N-(4-propan-2-ylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 11944107
N-(4-chlorophenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111332533
(2S)-N-phenyl-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 9446105
(2R)-N-(3-chlorophenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 9446715
(2S)-1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 40797023
(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 41118103
N-(3,4-difluorophenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)propanamide
CID 24506963
N-(4-chlorophenyl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chlorophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(4-chlorophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide (CID 11935296) is (2S)-N-(4-chlorophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(4-chlorophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(4-chlorophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide is C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCC[C@@H]1c1cccn1C.
What is the InChIKey of (2S)-N-(4-chlorophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide?
The InChIKey is LMAVJHYLYKLFRN-SUMWQHHRSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-13(18(23)20-15-9-7-14(19)8-10-15)22-12-4-6-17(22)16-5-3-11-21(16)2/h3,5,7-11,13,17H,4,6,12H2,1-2H3,(H,20,23)/t13-,17+/m0/s1.
What are the key properties of (2S)-N-(4-chlorophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide?
(2S)-N-(4-chlorophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide has a molecular weight of 331.85 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-chlorophenyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 11935296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).