N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyanilino)benzamide;hydrochloride

C19H24ClN3O3 — CID 120945808

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyanilino)benzamide;hydrochloride
SMILESCOc1ccc(Nc2ccccc2C(=O)NCC2CNCC2O)cc1.Cl
InChIInChI=1S/C19H23N3O3.ClH/c1-25-15-8-6-14(7-9-15)22-17-5-3-2-4-16(17)19(24)21-11-13-10-20-12-18(13)23;/h2-9,13,18,20,22-23H,10-12H2,1H3,(H,21,24);1H
InChIKeyXPVLVGFIINFNBL-UHFFFAOYSA-N
MW377.87 g/mol
LogP2.17
Rot. Bonds6

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyanilino)benzamide;hydrochloride

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyanilino)benzamide;hydrochloride (PubChem CID 120945808) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyanilino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyanilino)benzamide;hydrochloride
PubChem CID120945808
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyanilino)benzamide;hydrochloride
SMILESCOc1ccc(Nc2ccccc2C(=O)NCC2CNCC2O)cc1.Cl
InChIInChI=1S/C19H23N3O3.ClH/c1-25-15-8-6-14(7-9-15)22-17-5-3-2-4-16(17)19(24)21-11-13-10-20-12-18(13)23;/h2-9,13,18,20,22-23H,10-12H2,1H3,(H,21,24);1H
InChIKeyXPVLVGFIINFNBL-UHFFFAOYSA-N
XLogP2.17
TPSA82.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 52.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120948240
2-(4-methoxyanilino)-N-[3-(methylamino)propyl]benzamide
CID 119430354
2-(4-methoxyanilino)-N-piperidin-4-ylbenzamide
CID 119386646
bis[2-(4-methoxyanilino)phenyl]methanone
CID 141301142
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxybenzamide
CID 120945515
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,5-dimethoxybenzamide
CID 120946857
N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxyquinoline-2-carboxamide;dihydrochloride
CID 120946976
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzamide;hydrochloride
CID 120943463
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride
CID 120947870
2-(cyclopropylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944904
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
CID 120945658
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpyridine-3-carboxamide;dihydrochloride
CID 120944751

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyanilino)benzamide;hydrochloride?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyanilino)benzamide;hydrochloride (CID 120945808) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyanilino)benzamide;hydrochloride.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyanilino)benzamide;hydrochloride?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyanilino)benzamide;hydrochloride is COc1ccc(Nc2ccccc2C(=O)NCC2CNCC2O)cc1.Cl.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyanilino)benzamide;hydrochloride?
The InChIKey is XPVLVGFIINFNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3.ClH/c1-25-15-8-6-14(7-9-15)22-17-5-3-2-4-16(17)19(24)21-11-13-10-20-12-18(13)23;/h2-9,13,18,20,22-23H,10-12H2,1H3,(H,21,24);1H.
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyanilino)benzamide;hydrochloride?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyanilino)benzamide;hydrochloride has a molecular weight of 377.87 g/mol, XLogP of 2.17, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyanilino)benzamide;hydrochloride is sourced from PubChem (CID 120945808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).