(2S)-N-cyclopropyl-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanamide

C20H22F2N2O2 — CID 8830559

IUPAC(2S)-N-cyclopropyl-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanamide
SMILESC[C@H](N[C@H](c1ccccc1)c1ccc(OC(F)F)cc1)C(=O)NC1CC1
InChIInChI=1S/C20H22F2N2O2/c1-13(19(25)24-16-9-10-16)23-18(14-5-3-2-4-6-14)15-7-11-17(12-8-15)26-20(21)22/h2-8,11-13,16,18,20,23H,9-10H2,1H3,(H,24,25)/t13-,18+/m0/s1
InChIKeyNPIJATIWMNDNTO-SCLBCKFNSA-N
MW360.40 g/mol
LogP3.63
Rot. Bonds8

About (2S)-N-cyclopropyl-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanamide

(2S)-N-cyclopropyl-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanamide (PubChem CID 8830559) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanamide
PubChem CID8830559
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC Name(2S)-N-cyclopropyl-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanamide
SMILESC[C@H](N[C@H](c1ccccc1)c1ccc(OC(F)F)cc1)C(=O)NC1CC1
InChIInChI=1S/C20H22F2N2O2/c1-13(19(25)24-16-9-10-16)23-18(14-5-3-2-4-6-14)15-7-11-17(12-8-15)26-20(21)22/h2-8,11-13,16,18,20,23H,9-10H2,1H3,(H,24,25)/t13-,18+/m0/s1
InChIKeyNPIJATIWMNDNTO-SCLBCKFNSA-N
XLogP3.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanamide (CID 8830559) is (2S)-N-cyclopropyl-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanamide is C[C@H](N[C@H](c1ccccc1)c1ccc(OC(F)F)cc1)C(=O)NC1CC1.
What is the InChIKey of (2S)-N-cyclopropyl-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanamide?
The InChIKey is NPIJATIWMNDNTO-SCLBCKFNSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c1-13(19(25)24-16-9-10-16)23-18(14-5-3-2-4-6-14)15-7-11-17(12-8-15)26-20(21)22/h2-8,11-13,16,18,20,23H,9-10H2,1H3,(H,24,25)/t13-,18+/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanamide?
(2S)-N-cyclopropyl-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanamide has a molecular weight of 360.40 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]propanamide is sourced from PubChem (CID 8830559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).