4-[(1S,2R)-2-aminocyclopropyl]-N-benzylbenzamide

C17H18N2O — CID 118304450

IUPAC4-[(1S,2R)-2-aminocyclopropyl]-N-benzylbenzamide
SMILESN[C@@H]1C[C@H]1c1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C17H18N2O/c18-16-10-15(16)13-6-8-14(9-7-13)17(20)19-11-12-4-2-1-3-5-12/h1-9,15-16H,10-11,18H2,(H,19,20)/t15-,16+/m0/s1
InChIKeyWTBPQDAPAUFMAX-JKSUJKDBSA-N
MW266.34 g/mol
LogP2.43
Rot. Bonds4

About 4-[(1S,2R)-2-aminocyclopropyl]-N-benzylbenzamide

4-[(1S,2R)-2-aminocyclopropyl]-N-benzylbenzamide (PubChem CID 118304450) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[(1S,2R)-2-aminocyclopropyl]-N-benzylbenzamide.

Molecular Properties

Compound Name4-[(1S,2R)-2-aminocyclopropyl]-N-benzylbenzamide
PubChem CID118304450
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name4-[(1S,2R)-2-aminocyclopropyl]-N-benzylbenzamide
SMILESN[C@@H]1C[C@H]1c1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C17H18N2O/c18-16-10-15(16)13-6-8-14(9-7-13)17(20)19-11-12-4-2-1-3-5-12/h1-9,15-16H,10-11,18H2,(H,19,20)/t15-,16+/m0/s1
InChIKeyWTBPQDAPAUFMAX-JKSUJKDBSA-N
XLogP2.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-2-aminocyclopropyl]-N-benzylbenzamide?
The IUPAC name of 4-[(1S,2R)-2-aminocyclopropyl]-N-benzylbenzamide (CID 118304450) is 4-[(1S,2R)-2-aminocyclopropyl]-N-benzylbenzamide.
What is the SMILES notation for 4-[(1S,2R)-2-aminocyclopropyl]-N-benzylbenzamide?
The canonical SMILES for 4-[(1S,2R)-2-aminocyclopropyl]-N-benzylbenzamide is N[C@@H]1C[C@H]1c1ccc(C(=O)NCc2ccccc2)cc1.
What is the InChIKey of 4-[(1S,2R)-2-aminocyclopropyl]-N-benzylbenzamide?
The InChIKey is WTBPQDAPAUFMAX-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H18N2O/c18-16-10-15(16)13-6-8-14(9-7-13)17(20)19-11-12-4-2-1-3-5-12/h1-9,15-16H,10-11,18H2,(H,19,20)/t15-,16+/m0/s1.
What are the key properties of 4-[(1S,2R)-2-aminocyclopropyl]-N-benzylbenzamide?
4-[(1S,2R)-2-aminocyclopropyl]-N-benzylbenzamide has a molecular weight of 266.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-2-aminocyclopropyl]-N-benzylbenzamide is sourced from PubChem (CID 118304450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).