(3R)-3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-4-pyrrol-1-ylbutanamide

C21H28ClN3O2 — CID 97266725

IUPAC(3R)-3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-4-pyrrol-1-ylbutanamide
SMILESO=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)NCCCN1CCOCC1
InChIInChI=1S/C21H28ClN3O2/c22-20-6-4-18(5-7-20)19(17-25-9-1-2-10-25)16-21(26)23-8-3-11-24-12-14-27-15-13-24/h1-2,4-7,9-10,19H,3,8,11-17H2,(H,23,26)/t19-/m0/s1
InChIKeyKUODGZWKDUWGKW-IBGZPJMESA-N
MW389.93 g/mol
LogP3.15
Rot. Bonds9

About (3R)-3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-4-pyrrol-1-ylbutanamide

(3R)-3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-4-pyrrol-1-ylbutanamide (PubChem CID 97266725) has the molecular formula C21H28ClN3O2 and a molecular weight of 389.93 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-4-pyrrol-1-ylbutanamide.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-4-pyrrol-1-ylbutanamide
PubChem CID97266725
Molecular FormulaC21H28ClN3O2
Molecular Weight389.93 g/mol
Exact Mass389.19
IUPAC Name(3R)-3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-4-pyrrol-1-ylbutanamide
SMILESO=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)NCCCN1CCOCC1
InChIInChI=1S/C21H28ClN3O2/c22-20-6-4-18(5-7-20)19(17-25-9-1-2-10-25)16-21(26)23-8-3-11-24-12-14-27-15-13-24/h1-2,4-7,9-10,19H,3,8,11-17H2,(H,23,26)/t19-/m0/s1
InChIKeyKUODGZWKDUWGKW-IBGZPJMESA-N
XLogP3.15
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-4-pyrrol-1-ylbutanamide
CID 124880062
3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 94549604
(3S)-3-(4-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]-4-pyrrol-1-ylbutanamide
CID 124879790
2-[1-(4-chlorophenyl)pyrrol-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 53147920
(3S)-3-(4-chlorophenyl)-4-pyrrol-1-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 97266249
(3R)-3-(4-chlorophenyl)-1-(4-methylpiperazin-1-yl)-4-pyrrol-1-ylbutan-1-one
CID 124878800
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
3-(4-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrrol-1-ylbutanamide
CID 110205332
2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxoethanethioamide;hydrobromide
CID 88823559
(3S)-3-(4-chlorophenyl)-4-pyrrol-1-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 97264660
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 51155960
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 16878605

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-4-pyrrol-1-ylbutanamide?
The IUPAC name of (3R)-3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-4-pyrrol-1-ylbutanamide (CID 97266725) is (3R)-3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-4-pyrrol-1-ylbutanamide.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-4-pyrrol-1-ylbutanamide?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-4-pyrrol-1-ylbutanamide is O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)NCCCN1CCOCC1.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-4-pyrrol-1-ylbutanamide?
The InChIKey is KUODGZWKDUWGKW-IBGZPJMESA-N. The full InChI is InChI=1S/C21H28ClN3O2/c22-20-6-4-18(5-7-20)19(17-25-9-1-2-10-25)16-21(26)23-8-3-11-24-12-14-27-15-13-24/h1-2,4-7,9-10,19H,3,8,11-17H2,(H,23,26)/t19-/m0/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-4-pyrrol-1-ylbutanamide?
(3R)-3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-4-pyrrol-1-ylbutanamide has a molecular weight of 389.93 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)-4-pyrrol-1-ylbutanamide is sourced from PubChem (CID 97266725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).