(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropyl-2-phenylacetamide

C19H21ClN2O — CID 9043598

IUPAC(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropyl-2-phenylacetamide
SMILESC[C@@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C19H21ClN2O/c1-13(16-9-5-6-10-17(16)20)21-18(14-7-3-2-4-8-14)19(23)22-15-11-12-15/h2-10,13,15,18,21H,11-12H2,1H3,(H,22,23)/t13-,18-/m1/s1
InChIKeyHLAMDRGKWMQGOB-FZKQIMNGSA-N
MW328.84 g/mol
LogP4.01
Rot. Bonds6

About (2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropyl-2-phenylacetamide

(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropyl-2-phenylacetamide (PubChem CID 9043598) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is (2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropyl-2-phenylacetamide
PubChem CID9043598
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropyl-2-phenylacetamide
SMILESC[C@@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C19H21ClN2O/c1-13(16-9-5-6-10-17(16)20)21-18(14-7-3-2-4-8-14)19(23)22-15-11-12-15/h2-10,13,15,18,21H,11-12H2,1H3,(H,22,23)/t13-,18-/m1/s1
InChIKeyHLAMDRGKWMQGOB-FZKQIMNGSA-N
XLogP4.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropyl-2-phenylacetamide?
The IUPAC name of (2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropyl-2-phenylacetamide (CID 9043598) is (2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropyl-2-phenylacetamide is C[C@@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1Cl.
What is the InChIKey of (2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropyl-2-phenylacetamide?
The InChIKey is HLAMDRGKWMQGOB-FZKQIMNGSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-13(16-9-5-6-10-17(16)20)21-18(14-7-3-2-4-8-14)19(23)22-15-11-12-15/h2-10,13,15,18,21H,11-12H2,1H3,(H,22,23)/t13-,18-/m1/s1.
What are the key properties of (2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropyl-2-phenylacetamide?
(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropyl-2-phenylacetamide has a molecular weight of 328.84 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropyl-2-phenylacetamide is sourced from PubChem (CID 9043598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).