2-[(4-methoxybenzoyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

C21H26ClN3O3 — CID 119537859

IUPAC2-[(4-methoxybenzoyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCC2CCNC2)cc1.Cl
InChIInChI=1S/C21H25N3O3.ClH/c1-27-17-8-6-16(7-9-17)20(25)24-19-5-3-2-4-18(19)21(26)23-13-11-15-10-12-22-14-15;/h2-9,15,22H,10-14H2,1H3,(H,23,26)(H,24,25);1H
InChIKeyAREVCVHYMWLMDF-UHFFFAOYSA-N
MW403.91 g/mol
LogP3.10
Rot. Bonds7

About 2-[(4-methoxybenzoyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

2-[(4-methoxybenzoyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119537859) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is 2-[(4-methoxybenzoyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-[(4-methoxybenzoyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119537859
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC Name2-[(4-methoxybenzoyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCC2CCNC2)cc1.Cl
InChIInChI=1S/C21H25N3O3.ClH/c1-27-17-8-6-16(7-9-17)20(25)24-19-5-3-2-4-18(19)21(26)23-13-11-15-10-12-22-14-15;/h2-9,15,22H,10-14H2,1H3,(H,23,26)(H,24,25);1H
InChIKeyAREVCVHYMWLMDF-UHFFFAOYSA-N
XLogP3.10
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxybenzoyl)amino]-N-(piperidin-3-ylmethyl)benzamide
CID 119464314
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
2,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535388
N-[2-(cyclohexanecarbonylamino)ethyl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 55855187
N-[2-(ethylamino)ethyl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 119509230
2-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 2193182
3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628220
4-butoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534630
2-iodo-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534818
1-hydroxy-N-(2-pyrrolidin-3-ylethyl)naphthalene-2-carboxamide
CID 63622131
4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119537522
2,3,4-trimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535878

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (CID 119537859) is 2-[(4-methoxybenzoyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-[(4-methoxybenzoyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 2-[(4-methoxybenzoyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is COc1ccc(C(=O)Nc2ccccc2C(=O)NCCC2CCNC2)cc1.Cl.
What is the InChIKey of 2-[(4-methoxybenzoyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is AREVCVHYMWLMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3.ClH/c1-27-17-8-6-16(7-9-17)20(25)24-19-5-3-2-4-18(19)21(26)23-13-11-15-10-12-22-14-15;/h2-9,15,22H,10-14H2,1H3,(H,23,26)(H,24,25);1H.
What are the key properties of 2-[(4-methoxybenzoyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
2-[(4-methoxybenzoyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 403.91 g/mol, XLogP of 3.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxybenzoyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119537859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).