N-propan-2-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride

C16H24ClN3O2 — CID 119740098

IUPACN-propan-2-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
SMILESCC(C)NC(=O)c1ccc(NC(=O)CC2CCCN2)cc1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-11(2)18-16(21)12-5-7-13(8-6-12)19-15(20)10-14-4-3-9-17-14;/h5-8,11,14,17H,3-4,9-10H2,1-2H3,(H,18,21)(H,19,20);1H
InChIKeyNFYPQFVIGMFPHO-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.33
Rot. Bonds5

About N-propan-2-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride

N-propan-2-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride (PubChem CID 119740098) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-propan-2-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-propan-2-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
PubChem CID119740098
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-propan-2-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
SMILESCC(C)NC(=O)c1ccc(NC(=O)CC2CCCN2)cc1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-11(2)18-16(21)12-5-7-13(8-6-12)19-15(20)10-14-4-3-9-17-14;/h5-8,11,14,17H,3-4,9-10H2,1-2H3,(H,18,21)(H,19,20);1H
InChIKeyNFYPQFVIGMFPHO-UHFFFAOYSA-N
XLogP2.33
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[4-[(2-pyrrolidin-2-ylacetyl)amino]benzoyl]amino]acetate;hydrochloride
CID 119692977
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
N-phenyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119756453
N-(4-chlorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119671239
N-(4-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670724
N-[4-(2-methoxyethoxy)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61366412
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119730375
N-[4-(ethylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119711145
N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651
N-[(2-fluorophenyl)methyl]-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119718420
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119719041
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119730376

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride?
The IUPAC name of N-propan-2-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride (CID 119740098) is N-propan-2-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride.
What is the SMILES notation for N-propan-2-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride?
The canonical SMILES for N-propan-2-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride is CC(C)NC(=O)c1ccc(NC(=O)CC2CCCN2)cc1.Cl.
What is the InChIKey of N-propan-2-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride?
The InChIKey is NFYPQFVIGMFPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-11(2)18-16(21)12-5-7-13(8-6-12)19-15(20)10-14-4-3-9-17-14;/h5-8,11,14,17H,3-4,9-10H2,1-2H3,(H,18,21)(H,19,20);1H.
What are the key properties of N-propan-2-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride?
N-propan-2-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride is sourced from PubChem (CID 119740098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).