N-benzyl-4-[(1S,2R)-2-pyrrolidin-1-ylcyclopropyl]benzamide

C21H24N2O — CID 118304057

IUPACN-benzyl-4-[(1S,2R)-2-pyrrolidin-1-ylcyclopropyl]benzamide
SMILESO=C(NCc1ccccc1)c1ccc([C@@H]2C[C@H]2N2CCCC2)cc1
InChIInChI=1S/C21H24N2O/c24-21(22-15-16-6-2-1-3-7-16)18-10-8-17(9-11-18)19-14-20(19)23-12-4-5-13-23/h1-3,6-11,19-20H,4-5,12-15H2,(H,22,24)/t19-,20+/m0/s1
InChIKeyGCMIRIWAIDJOAD-VQTJNVASSA-N
MW320.44 g/mol
LogP3.57
Rot. Bonds5

About N-benzyl-4-[(1S,2R)-2-pyrrolidin-1-ylcyclopropyl]benzamide

N-benzyl-4-[(1S,2R)-2-pyrrolidin-1-ylcyclopropyl]benzamide (PubChem CID 118304057) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-benzyl-4-[(1S,2R)-2-pyrrolidin-1-ylcyclopropyl]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[(1S,2R)-2-pyrrolidin-1-ylcyclopropyl]benzamide
PubChem CID118304057
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC NameN-benzyl-4-[(1S,2R)-2-pyrrolidin-1-ylcyclopropyl]benzamide
SMILESO=C(NCc1ccccc1)c1ccc([C@@H]2C[C@H]2N2CCCC2)cc1
InChIInChI=1S/C21H24N2O/c24-21(22-15-16-6-2-1-3-7-16)18-10-8-17(9-11-18)19-14-20(19)23-12-4-5-13-23/h1-3,6-11,19-20H,4-5,12-15H2,(H,22,24)/t19-,20+/m0/s1
InChIKeyGCMIRIWAIDJOAD-VQTJNVASSA-N
XLogP3.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 118304730
4-[[amino(pyrrolidin-1-yl)methylidene]amino]-N-benzylbenzamide;hydrochloride
CID 67597658
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
4-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-benzylbenzamide
CID 2180379
4-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-benzylbenzamide
CID 2180377
4-(benzamidomethyl)benzoic acid
CID 10879683
N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778
N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 71192982
N-[(3-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 91394219
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(1S,2R)-2-pyrrolidin-1-ylcyclopropyl]benzamide?
The IUPAC name of N-benzyl-4-[(1S,2R)-2-pyrrolidin-1-ylcyclopropyl]benzamide (CID 118304057) is N-benzyl-4-[(1S,2R)-2-pyrrolidin-1-ylcyclopropyl]benzamide.
What is the SMILES notation for N-benzyl-4-[(1S,2R)-2-pyrrolidin-1-ylcyclopropyl]benzamide?
The canonical SMILES for N-benzyl-4-[(1S,2R)-2-pyrrolidin-1-ylcyclopropyl]benzamide is O=C(NCc1ccccc1)c1ccc([C@@H]2C[C@H]2N2CCCC2)cc1.
What is the InChIKey of N-benzyl-4-[(1S,2R)-2-pyrrolidin-1-ylcyclopropyl]benzamide?
The InChIKey is GCMIRIWAIDJOAD-VQTJNVASSA-N. The full InChI is InChI=1S/C21H24N2O/c24-21(22-15-16-6-2-1-3-7-16)18-10-8-17(9-11-18)19-14-20(19)23-12-4-5-13-23/h1-3,6-11,19-20H,4-5,12-15H2,(H,22,24)/t19-,20+/m0/s1.
What are the key properties of N-benzyl-4-[(1S,2R)-2-pyrrolidin-1-ylcyclopropyl]benzamide?
N-benzyl-4-[(1S,2R)-2-pyrrolidin-1-ylcyclopropyl]benzamide has a molecular weight of 320.44 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(1S,2R)-2-pyrrolidin-1-ylcyclopropyl]benzamide is sourced from PubChem (CID 118304057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).