3-(5-chloro-2-methoxyanilino)-N-propyl-N-pyrrolidin-3-ylpropanamide

C17H26ClN3O2 — CID 119533142

IUPAC3-(5-chloro-2-methoxyanilino)-N-propyl-N-pyrrolidin-3-ylpropanamide
SMILESCCCN(C(=O)CCNc1cc(Cl)ccc1OC)C1CCNC1
InChIInChI=1S/C17H26ClN3O2/c1-3-10-21(14-6-8-19-12-14)17(22)7-9-20-15-11-13(18)4-5-16(15)23-2/h4-5,11,14,19-20H,3,6-10,12H2,1-2H3
InChIKeyDCTVARFRAPJBGG-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.75
Rot. Bonds8

About 3-(5-chloro-2-methoxyanilino)-N-propyl-N-pyrrolidin-3-ylpropanamide

3-(5-chloro-2-methoxyanilino)-N-propyl-N-pyrrolidin-3-ylpropanamide (PubChem CID 119533142) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyanilino)-N-propyl-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyanilino)-N-propyl-N-pyrrolidin-3-ylpropanamide
PubChem CID119533142
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name3-(5-chloro-2-methoxyanilino)-N-propyl-N-pyrrolidin-3-ylpropanamide
SMILESCCCN(C(=O)CCNc1cc(Cl)ccc1OC)C1CCNC1
InChIInChI=1S/C17H26ClN3O2/c1-3-10-21(14-6-8-19-12-14)17(22)7-9-20-15-11-13(18)4-5-16(15)23-2/h4-5,11,14,19-20H,3,6-10,12H2,1-2H3
InChIKeyDCTVARFRAPJBGG-UHFFFAOYSA-N
XLogP2.75
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-2-methoxyanilino)-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride
CID 119444531
2-(5-chloro-2-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119529826
3-(2,4-dichlorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119825395
3-(2-methoxyphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530663
3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 82177257
2-(4-chlorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 63301188
3,4,5-trimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530647
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-(5-chloro-2-methoxyanilino)propan-1-one
CID 120655428
3-(3,4-dimethoxyphenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide
CID 119825082
3-(2,5-difluorophenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532213
2-(4-chloro-2-methylphenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119823009
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119531011

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyanilino)-N-propyl-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 3-(5-chloro-2-methoxyanilino)-N-propyl-N-pyrrolidin-3-ylpropanamide (CID 119533142) is 3-(5-chloro-2-methoxyanilino)-N-propyl-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 3-(5-chloro-2-methoxyanilino)-N-propyl-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 3-(5-chloro-2-methoxyanilino)-N-propyl-N-pyrrolidin-3-ylpropanamide is CCCN(C(=O)CCNc1cc(Cl)ccc1OC)C1CCNC1.
What is the InChIKey of 3-(5-chloro-2-methoxyanilino)-N-propyl-N-pyrrolidin-3-ylpropanamide?
The InChIKey is DCTVARFRAPJBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-3-10-21(14-6-8-19-12-14)17(22)7-9-20-15-11-13(18)4-5-16(15)23-2/h4-5,11,14,19-20H,3,6-10,12H2,1-2H3.
What are the key properties of 3-(5-chloro-2-methoxyanilino)-N-propyl-N-pyrrolidin-3-ylpropanamide?
3-(5-chloro-2-methoxyanilino)-N-propyl-N-pyrrolidin-3-ylpropanamide has a molecular weight of 339.87 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyanilino)-N-propyl-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 119533142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).