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

C17H24ClN3O3 — CID 120948616

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
SMILESCC1CC1C(=O)Nc1cccc(C(=O)NCC2CNCC2O)c1.Cl
InChIInChI=1S/C17H23N3O3.ClH/c1-10-5-14(10)17(23)20-13-4-2-3-11(6-13)16(22)19-8-12-7-18-9-15(12)21;/h2-4,6,10,12,14-15,18,21H,5,7-9H2,1H3,(H,19,22)(H,20,23);1H
InChIKeySPPNNMMTJZDEFT-UHFFFAOYSA-N
MW353.85 g/mol
LogP1.01
Rot. Bonds5

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

N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride (PubChem CID 120948616) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
PubChem CID120948616
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
SMILESCC1CC1C(=O)Nc1cccc(C(=O)NCC2CNCC2O)c1.Cl
InChIInChI=1S/C17H23N3O3.ClH/c1-10-5-14(10)17(23)20-13-4-2-3-11(6-13)16(22)19-8-12-7-18-9-15(12)21;/h2-4,6,10,12,14-15,18,21H,5,7-9H2,1H3,(H,19,22)(H,20,23);1H
InChIKeySPPNNMMTJZDEFT-UHFFFAOYSA-N
XLogP1.01
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 51.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclohexanecarbonylamino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120948547
3-[(2-methylcyclopropanecarbonyl)amino]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463091
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 120943789
3-[(2-methylcyclopropanecarbonyl)amino]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513177
N-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 119432738
N-[2-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 120827773
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 51318010
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536660
N-[(1-ethylpiperidin-4-yl)methyl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 94184057
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
4-methyl-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 63713940
3-[(2-methylcyclopropanecarbonyl)amino]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388968

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride (CID 120948616) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride is CC1CC1C(=O)Nc1cccc(C(=O)NCC2CNCC2O)c1.Cl.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride?
The InChIKey is SPPNNMMTJZDEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3.ClH/c1-10-5-14(10)17(23)20-13-4-2-3-11(6-13)16(22)19-8-12-7-18-9-15(12)21;/h2-4,6,10,12,14-15,18,21H,5,7-9H2,1H3,(H,19,22)(H,20,23);1H.
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride has a molecular weight of 353.85 g/mol, XLogP of 1.01, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride is sourced from PubChem (CID 120948616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).