(3S)-3-cyclopentyl-N-[(1R)-2-(difluoromethoxy)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-hydroxypropanamide

C18H23F4NO4 — CID 155786727

IUPAC(3S)-3-cyclopentyl-N-[(1R)-2-(difluoromethoxy)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-hydroxypropanamide
SMILESO=C(C[C@H](O)C1CCCC1)N[C@@H](COC(F)F)c1cccc(OC(F)F)c1
InChIInChI=1S/C18H23F4NO4/c19-17(20)26-10-14(12-6-3-7-13(8-12)27-18(21)22)23-16(25)9-15(24)11-4-1-2-5-11/h3,6-8,11,14-15,17-18,24H,1-2,4-5,9-10H2,(H,23,25)/t14-,15-/m0/s1
InChIKeySJXBACWMIQQWOB-GJZGRUSLSA-N
MW393.38 g/mol
LogP3.63
Rot. Bonds10

About (3S)-3-cyclopentyl-N-[(1R)-2-(difluoromethoxy)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-hydroxypropanamide

(3S)-3-cyclopentyl-N-[(1R)-2-(difluoromethoxy)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-hydroxypropanamide (PubChem CID 155786727) has the molecular formula C18H23F4NO4 and a molecular weight of 393.38 g/mol. Its IUPAC name is (3S)-3-cyclopentyl-N-[(1R)-2-(difluoromethoxy)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-hydroxypropanamide.

Molecular Properties

Compound Name(3S)-3-cyclopentyl-N-[(1R)-2-(difluoromethoxy)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-hydroxypropanamide
PubChem CID155786727
Molecular FormulaC18H23F4NO4
Molecular Weight393.38 g/mol
Exact Mass393.16
IUPAC Name(3S)-3-cyclopentyl-N-[(1R)-2-(difluoromethoxy)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-hydroxypropanamide
SMILESO=C(C[C@H](O)C1CCCC1)N[C@@H](COC(F)F)c1cccc(OC(F)F)c1
InChIInChI=1S/C18H23F4NO4/c19-17(20)26-10-14(12-6-3-7-13(8-12)27-18(21)22)23-16(25)9-15(24)11-4-1-2-5-11/h3,6-8,11,14-15,17-18,24H,1-2,4-5,9-10H2,(H,23,25)/t14-,15-/m0/s1
InChIKeySJXBACWMIQQWOB-GJZGRUSLSA-N
XLogP3.63
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,3-difluorocyclobutyl)-N-[(1R)-2-(difluoromethoxy)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-hydroxypropanamide;(3R)-3-(3,3-difluorocyclobutyl)-N-[(1R)-2-(difluoromethoxy)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-hydroxypropanamide;(3S)-3-(3,3-difluorocyclobutyl)-N-[(1R)-2-(difluoromethoxy)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-hydroxypropanamide
CID 160707426
3-(3,3-difluorocyclobutyl)-N-[(1R)-2-(difluoromethoxy)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-hydroxypropanamide
CID 155786724
N-[2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]ethyl]-3-hydroxy-4,4-dimethylpentanamide
CID 139414492
(1S,2R)-2-amino-1-cyclopentyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride
CID 171262769
CID 157197673
CID 157197673
N-[(1R)-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]ethyl]-3-[(1S,2S)-2-hydroxy-1-(trifluoromethyl)cyclopropyl]propanamide
CID 177251719
(R)-cyclohexyl-[3-(difluoromethoxy)phenyl]methanamine
CID 171206139
[cycloheptyl-[3-(difluoromethoxy)phenyl]methyl]hydrazine
CID 105330629
(1R)-2-(difluoromethoxy)-1-[3-(difluoromethoxy)phenyl]ethanamine;N-[(1R)-2-(difluoromethoxy)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-hydroxy-3,4-dimethylpentanamide;3-hydroxy-3,4-dimethylpentanoic acid;hydrochloride
CID 158330106
N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclopentanamine
CID 43200712
(1R,2S)-2-amino-1-cyclopropyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride
CID 171268438
(S)-cyclobutyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride
CID 171225709

Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclopentyl-N-[(1R)-2-(difluoromethoxy)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-hydroxypropanamide?
The IUPAC name of (3S)-3-cyclopentyl-N-[(1R)-2-(difluoromethoxy)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-hydroxypropanamide (CID 155786727) is (3S)-3-cyclopentyl-N-[(1R)-2-(difluoromethoxy)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-hydroxypropanamide.
What is the SMILES notation for (3S)-3-cyclopentyl-N-[(1R)-2-(difluoromethoxy)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-hydroxypropanamide?
The canonical SMILES for (3S)-3-cyclopentyl-N-[(1R)-2-(difluoromethoxy)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-hydroxypropanamide is O=C(C[C@H](O)C1CCCC1)N[C@@H](COC(F)F)c1cccc(OC(F)F)c1.
What is the InChIKey of (3S)-3-cyclopentyl-N-[(1R)-2-(difluoromethoxy)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-hydroxypropanamide?
The InChIKey is SJXBACWMIQQWOB-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H23F4NO4/c19-17(20)26-10-14(12-6-3-7-13(8-12)27-18(21)22)23-16(25)9-15(24)11-4-1-2-5-11/h3,6-8,11,14-15,17-18,24H,1-2,4-5,9-10H2,(H,23,25)/t14-,15-/m0/s1.
What are the key properties of (3S)-3-cyclopentyl-N-[(1R)-2-(difluoromethoxy)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-hydroxypropanamide?
(3S)-3-cyclopentyl-N-[(1R)-2-(difluoromethoxy)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-hydroxypropanamide has a molecular weight of 393.38 g/mol, XLogP of 3.63, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclopentyl-N-[(1R)-2-(difluoromethoxy)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-hydroxypropanamide is sourced from PubChem (CID 155786727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).