(3S)-3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-4-pyrrol-1-ylbutanamide

C19H26ClN3O — CID 124880062

IUPAC(3S)-3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-4-pyrrol-1-ylbutanamide
SMILESCN(C)CCCNC(=O)C[C@H](Cn1cccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H26ClN3O/c1-22(2)11-5-10-21-19(24)14-17(15-23-12-3-4-13-23)16-6-8-18(20)9-7-16/h3-4,6-9,12-13,17H,5,10-11,14-15H2,1-2H3,(H,21,24)/t17-/m1/s1
InChIKeyYVICTTFGMIMPHO-QGZVFWFLSA-N
MW347.89 g/mol
LogP3.38
Rot. Bonds9

About (3S)-3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-4-pyrrol-1-ylbutanamide

(3S)-3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-4-pyrrol-1-ylbutanamide (PubChem CID 124880062) has the molecular formula C19H26ClN3O and a molecular weight of 347.89 g/mol. Its IUPAC name is (3S)-3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-4-pyrrol-1-ylbutanamide.

Molecular Properties

Compound Name(3S)-3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-4-pyrrol-1-ylbutanamide
PubChem CID124880062
Molecular FormulaC19H26ClN3O
Molecular Weight347.89 g/mol
Exact Mass347.18
IUPAC Name(3S)-3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-4-pyrrol-1-ylbutanamide
SMILESCN(C)CCCNC(=O)C[C@H](Cn1cccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H26ClN3O/c1-22(2)11-5-10-21-19(24)14-17(15-23-12-3-4-13-23)16-6-8-18(20)9-7-16/h3-4,6-9,12-13,17H,5,10-11,14-15H2,1-2H3,(H,21,24)/t17-/m1/s1
InChIKeyYVICTTFGMIMPHO-QGZVFWFLSA-N
XLogP3.38
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-4-pyrrol-1-ylbutanamide
CID 97266725
(3S)-3-(4-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]-4-pyrrol-1-ylbutanamide
CID 124879790
(3S)-3-(4-chlorophenyl)-4-pyrrol-1-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 97266249
3-(4-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrrol-1-ylbutanamide
CID 110205332
(3S)-3-(4-chlorophenyl)-4-pyrrol-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 97264660
N-(3-chloro-4-methylphenyl)-N'-[3-(dimethylamino)propyl]-3-phenylpentanediamide
CID 142061710
3-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]butanamide
CID 110676592
N-[3-(dimethylamino)propyl]-3-pyrrol-1-ylpropanamide
CID 110688672
2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-[3-(dimethylamino)propyl]acetamide
CID 53147925
(3S)-3-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-4-pyrrol-1-ylbutanamide
CID 97266547
(3R)-3-(4-chlorophenyl)-1-(4-methylpiperazin-1-yl)-4-pyrrol-1-ylbutan-1-one
CID 124878800
(3S)-3-(4-chlorophenyl)-N-(1H-indol-4-yl)-4-pyrrol-1-ylbutanamide
CID 97266791

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-4-pyrrol-1-ylbutanamide?
The IUPAC name of (3S)-3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-4-pyrrol-1-ylbutanamide (CID 124880062) is (3S)-3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-4-pyrrol-1-ylbutanamide.
What is the SMILES notation for (3S)-3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-4-pyrrol-1-ylbutanamide?
The canonical SMILES for (3S)-3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-4-pyrrol-1-ylbutanamide is CN(C)CCCNC(=O)C[C@H](Cn1cccc1)c1ccc(Cl)cc1.
What is the InChIKey of (3S)-3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-4-pyrrol-1-ylbutanamide?
The InChIKey is YVICTTFGMIMPHO-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26ClN3O/c1-22(2)11-5-10-21-19(24)14-17(15-23-12-3-4-13-23)16-6-8-18(20)9-7-16/h3-4,6-9,12-13,17H,5,10-11,14-15H2,1-2H3,(H,21,24)/t17-/m1/s1.
What are the key properties of (3S)-3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-4-pyrrol-1-ylbutanamide?
(3S)-3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-4-pyrrol-1-ylbutanamide has a molecular weight of 347.89 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-4-pyrrol-1-ylbutanamide is sourced from PubChem (CID 124880062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).