2-amino-N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]benzamide;hydrochloride

C18H26ClN3O2 — CID 119945821

IUPAC2-amino-N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]benzamide;hydrochloride
SMILESCl.Nc1ccccc1C(=O)NC1CCN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C18H25N3O2.ClH/c19-16-9-5-4-8-15(16)17(22)20-14-10-11-21(12-14)18(23)13-6-2-1-3-7-13;/h4-5,8-9,13-14H,1-3,6-7,10-12,19H2,(H,20,22);1H
InChIKeyRDOUCAISFYWQEB-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.60
Rot. Bonds3

About 2-amino-N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]benzamide;hydrochloride

2-amino-N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]benzamide;hydrochloride (PubChem CID 119945821) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 2-amino-N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]benzamide;hydrochloride
PubChem CID119945821
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name2-amino-N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]benzamide;hydrochloride
SMILESCl.Nc1ccccc1C(=O)NC1CCN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C18H25N3O2.ClH/c19-16-9-5-4-8-15(16)17(22)20-14-10-11-21(12-14)18(23)13-6-2-1-3-7-13;/h4-5,8-9,13-14H,1-3,6-7,10-12,19H2,(H,20,22);1H
InChIKeyRDOUCAISFYWQEB-UHFFFAOYSA-N
XLogP2.60
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide;hydrochloride
CID 119944177
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxybenzamide
CID 110871467
2-chloro-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzamide
CID 110822148
2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride
CID 119946137
N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 53016414
N-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 97066371
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 71918106
2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 61213391
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
N-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-(2-hydroxyphenyl)acetamide
CID 97014157
2-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 110819420
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-hydroxynaphthalene-2-carboxamide
CID 55690810

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]benzamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]benzamide;hydrochloride (CID 119945821) is 2-amino-N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]benzamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]benzamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]benzamide;hydrochloride is Cl.Nc1ccccc1C(=O)NC1CCN(C(=O)C2CCCCC2)C1.
What is the InChIKey of 2-amino-N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]benzamide;hydrochloride?
The InChIKey is RDOUCAISFYWQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c19-16-9-5-4-8-15(16)17(22)20-14-10-11-21(12-14)18(23)13-6-2-1-3-7-13;/h4-5,8-9,13-14H,1-3,6-7,10-12,19H2,(H,20,22);1H.
What are the key properties of 2-amino-N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]benzamide;hydrochloride?
2-amino-N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]benzamide;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]benzamide;hydrochloride is sourced from PubChem (CID 119945821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).