N-[(R)-[(1R,2R)-2-butylcyclopropyl]-(4-chlorophenyl)methyl]-2-phenylacetamide

C22H26ClNO — CID 3247434

IUPACN-[(R)-[(1R,2R)-2-butylcyclopropyl]-(4-chlorophenyl)methyl]-2-phenylacetamide
SMILESCCCC[C@@H]1C[C@H]1[C@@H](NC(=O)Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H26ClNO/c1-2-3-9-18-15-20(18)22(17-10-12-19(23)13-11-17)24-21(25)14-16-7-5-4-6-8-16/h4-8,10-13,18,20,22H,2-3,9,14-15H2,1H3,(H,24,25)/t18-,20-,22+/m1/s1
InChIKeyKRCJGMGDULOQEL-UZKOGDIHSA-N
MW355.91 g/mol
LogP5.57
Rot. Bonds8

About N-[(R)-[(1R,2R)-2-butylcyclopropyl]-(4-chlorophenyl)methyl]-2-phenylacetamide

N-[(R)-[(1R,2R)-2-butylcyclopropyl]-(4-chlorophenyl)methyl]-2-phenylacetamide (PubChem CID 3247434) has the molecular formula C22H26ClNO and a molecular weight of 355.91 g/mol. Its IUPAC name is N-[(R)-[(1R,2R)-2-butylcyclopropyl]-(4-chlorophenyl)methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(R)-[(1R,2R)-2-butylcyclopropyl]-(4-chlorophenyl)methyl]-2-phenylacetamide
PubChem CID3247434
Molecular FormulaC22H26ClNO
Molecular Weight355.91 g/mol
Exact Mass355.17
IUPAC NameN-[(R)-[(1R,2R)-2-butylcyclopropyl]-(4-chlorophenyl)methyl]-2-phenylacetamide
SMILESCCCC[C@@H]1C[C@H]1[C@@H](NC(=O)Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H26ClNO/c1-2-3-9-18-15-20(18)22(17-10-12-19(23)13-11-17)24-21(25)14-16-7-5-4-6-8-16/h4-8,10-13,18,20,22H,2-3,9,14-15H2,1H3,(H,24,25)/t18-,20-,22+/m1/s1
InChIKeyKRCJGMGDULOQEL-UZKOGDIHSA-N
XLogP5.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.91
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-[(1R,2R)-2-butylcyclopropyl]-(4-chlorophenyl)methyl]-2-phenylacetamide?
The IUPAC name of N-[(R)-[(1R,2R)-2-butylcyclopropyl]-(4-chlorophenyl)methyl]-2-phenylacetamide (CID 3247434) is N-[(R)-[(1R,2R)-2-butylcyclopropyl]-(4-chlorophenyl)methyl]-2-phenylacetamide.
What is the SMILES notation for N-[(R)-[(1R,2R)-2-butylcyclopropyl]-(4-chlorophenyl)methyl]-2-phenylacetamide?
The canonical SMILES for N-[(R)-[(1R,2R)-2-butylcyclopropyl]-(4-chlorophenyl)methyl]-2-phenylacetamide is CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)Cc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(R)-[(1R,2R)-2-butylcyclopropyl]-(4-chlorophenyl)methyl]-2-phenylacetamide?
The InChIKey is KRCJGMGDULOQEL-UZKOGDIHSA-N. The full InChI is InChI=1S/C22H26ClNO/c1-2-3-9-18-15-20(18)22(17-10-12-19(23)13-11-17)24-21(25)14-16-7-5-4-6-8-16/h4-8,10-13,18,20,22H,2-3,9,14-15H2,1H3,(H,24,25)/t18-,20-,22+/m1/s1.
What are the key properties of N-[(R)-[(1R,2R)-2-butylcyclopropyl]-(4-chlorophenyl)methyl]-2-phenylacetamide?
N-[(R)-[(1R,2R)-2-butylcyclopropyl]-(4-chlorophenyl)methyl]-2-phenylacetamide has a molecular weight of 355.91 g/mol, XLogP of 5.57, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[(1R,2R)-2-butylcyclopropyl]-(4-chlorophenyl)methyl]-2-phenylacetamide is sourced from PubChem (CID 3247434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).