2-(3-methoxyanilino)-N-pyrrolidin-3-ylbenzamide

C18H21N3O2 — CID 119449915

IUPAC2-(3-methoxyanilino)-N-pyrrolidin-3-ylbenzamide
SMILESCOc1cccc(Nc2ccccc2C(=O)NC2CCNC2)c1
InChIInChI=1S/C18H21N3O2/c1-23-15-6-4-5-13(11-15)20-17-8-3-2-7-16(17)18(22)21-14-9-10-19-12-14/h2-8,11,14,19-20H,9-10,12H2,1H3,(H,21,22)
InChIKeyJIWFDAMQLKPBSE-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.53
Rot. Bonds5

About 2-(3-methoxyanilino)-N-pyrrolidin-3-ylbenzamide

2-(3-methoxyanilino)-N-pyrrolidin-3-ylbenzamide (PubChem CID 119449915) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name2-(3-methoxyanilino)-N-pyrrolidin-3-ylbenzamide
PubChem CID119449915
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-(3-methoxyanilino)-N-pyrrolidin-3-ylbenzamide
SMILESCOc1cccc(Nc2ccccc2C(=O)NC2CCNC2)c1
InChIInChI=1S/C18H21N3O2/c1-23-15-6-4-5-13(11-15)20-17-8-3-2-7-16(17)18(22)21-14-9-10-19-12-14/h2-8,11,14,19-20H,9-10,12H2,1H3,(H,21,22)
InChIKeyJIWFDAMQLKPBSE-UHFFFAOYSA-N
XLogP2.53
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyanilino)-N-piperidin-4-ylbenzamide
CID 119386646
2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451413
1-(3-methoxyphenyl)-3-pyrrolidin-3-ylurea
CID 61310941
2-(3-methoxyanilino)benzoate
CID 6943552
N-piperidin-4-yl-2-[3-(trifluoromethyl)anilino]benzamide
CID 119389365
[2-(3-methoxyanilino)phenyl]-(3-methylpiperazin-1-yl)methanone
CID 119576643
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-pyrrolidin-3-ylbenzamide
CID 119452649
2-methoxy-N-piperidin-4-ylbenzamide
CID 16780894
2-[4-(difluoromethoxy)anilino]-N-piperidin-3-ylbenzamide
CID 119425043
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(3-methoxyanilino)phenyl]methanone;dihydrochloride
CID 119635311
2-(3-methoxyphenyl)sulfanyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119453540
(3-aminopiperidin-1-yl)-[2-(3-methoxyanilino)phenyl]methanone
CID 119377562

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 2-(3-methoxyanilino)-N-pyrrolidin-3-ylbenzamide (CID 119449915) is 2-(3-methoxyanilino)-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 2-(3-methoxyanilino)-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 2-(3-methoxyanilino)-N-pyrrolidin-3-ylbenzamide is COc1cccc(Nc2ccccc2C(=O)NC2CCNC2)c1.
What is the InChIKey of 2-(3-methoxyanilino)-N-pyrrolidin-3-ylbenzamide?
The InChIKey is JIWFDAMQLKPBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-23-15-6-4-5-13(11-15)20-17-8-3-2-7-16(17)18(22)21-14-9-10-19-12-14/h2-8,11,14,19-20H,9-10,12H2,1H3,(H,21,22).
What are the key properties of 2-(3-methoxyanilino)-N-pyrrolidin-3-ylbenzamide?
2-(3-methoxyanilino)-N-pyrrolidin-3-ylbenzamide has a molecular weight of 311.39 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 119449915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).