N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(2-ethyl-9H-fluoren-9-yl)amino]-3-hydroxybutan-2-yl]acetamide

C27H28F2N2O2 — CID 10026783

IUPACN-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(2-ethyl-9H-fluoren-9-yl)amino]-3-hydroxybutan-2-yl]acetamide
SMILESCCc1ccc2c(c1)C(NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O)c1ccccc1-2
InChIInChI=1S/C27H28F2N2O2/c1-3-17-8-9-22-21-6-4-5-7-23(21)27(24(22)12-17)30-15-26(33)25(31-16(2)32)13-18-10-19(28)14-20(29)11-18/h4-12,14,25-27,30,33H,3,13,15H2,1-2H3,(H,31,32)/t25-,26+,27?/m0/s1
InChIKeyKDMYDMCHNGFFLY-AJRFNQODSA-N
MW450.53 g/mol
LogP4.29
Rot. Bonds8

About N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(2-ethyl-9H-fluoren-9-yl)amino]-3-hydroxybutan-2-yl]acetamide

N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(2-ethyl-9H-fluoren-9-yl)amino]-3-hydroxybutan-2-yl]acetamide (PubChem CID 10026783) has the molecular formula C27H28F2N2O2 and a molecular weight of 450.53 g/mol. Its IUPAC name is N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(2-ethyl-9H-fluoren-9-yl)amino]-3-hydroxybutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(2-ethyl-9H-fluoren-9-yl)amino]-3-hydroxybutan-2-yl]acetamide
PubChem CID10026783
Molecular FormulaC27H28F2N2O2
Molecular Weight450.53 g/mol
Exact Mass450.21
IUPAC NameN-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(2-ethyl-9H-fluoren-9-yl)amino]-3-hydroxybutan-2-yl]acetamide
SMILESCCc1ccc2c(c1)C(NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O)c1ccccc1-2
InChIInChI=1S/C27H28F2N2O2/c1-3-17-8-9-22-21-6-4-5-7-23(21)27(24(22)12-17)30-15-26(33)25(31-16(2)32)13-18-10-19(28)14-20(29)11-18/h4-12,14,25-27,30,33H,3,13,15H2,1-2H3,(H,31,32)/t25-,26+,27?/m0/s1
InChIKeyKDMYDMCHNGFFLY-AJRFNQODSA-N
XLogP4.29
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.53
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11754571
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CID 10005029
N-((2S,3R)-1-(3,5-difluorophenyl)-4-(1-(3-ethylphenyl)cyclohexylamino)-3-hydroxybutan-2-yl)acetamide
CID 10366180
N-((2S,3R)-4-(4-(3-tert-butylphenyl)piperidin-4-ylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide
CID 45486942
N-((2S,3R)-4-(1-(3-((E)-but-2-en-2-yl)phenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide
CID 49862037
N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-tert-pentylphenyl)cyclohexylamino)butan-2-yl)acetamide
CID 49862038
N-((2S,3R)-4-(1-(3-cyclopentylphenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide
CID 49862202
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CID 49862831
N-((2S,3R)-4-(1-(3-tert-butyl-5-methylphenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide
CID 52944038
N-((2S,3R)-4-(1-(3-tert-butyl-5-fluorophenyl)cyclohexylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide
CID 52948682
N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-neopentylphenyl)cyclohexylamino)butan-2-yl)acetamide
CID 52949889
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-hydroxybutan-2-yl]acetamide
CID 57512157

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(2-ethyl-9H-fluoren-9-yl)amino]-3-hydroxybutan-2-yl]acetamide?
The IUPAC name of N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(2-ethyl-9H-fluoren-9-yl)amino]-3-hydroxybutan-2-yl]acetamide (CID 10026783) is N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(2-ethyl-9H-fluoren-9-yl)amino]-3-hydroxybutan-2-yl]acetamide.
What is the SMILES notation for N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(2-ethyl-9H-fluoren-9-yl)amino]-3-hydroxybutan-2-yl]acetamide?
The canonical SMILES for N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(2-ethyl-9H-fluoren-9-yl)amino]-3-hydroxybutan-2-yl]acetamide is CCc1ccc2c(c1)C(NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O)c1ccccc1-2.
What is the InChIKey of N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(2-ethyl-9H-fluoren-9-yl)amino]-3-hydroxybutan-2-yl]acetamide?
The InChIKey is KDMYDMCHNGFFLY-AJRFNQODSA-N. The full InChI is InChI=1S/C27H28F2N2O2/c1-3-17-8-9-22-21-6-4-5-7-23(21)27(24(22)12-17)30-15-26(33)25(31-16(2)32)13-18-10-19(28)14-20(29)11-18/h4-12,14,25-27,30,33H,3,13,15H2,1-2H3,(H,31,32)/t25-,26+,27?/m0/s1.
What are the key properties of N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(2-ethyl-9H-fluoren-9-yl)amino]-3-hydroxybutan-2-yl]acetamide?
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(2-ethyl-9H-fluoren-9-yl)amino]-3-hydroxybutan-2-yl]acetamide has a molecular weight of 450.53 g/mol, XLogP of 4.29, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(2-ethyl-9H-fluoren-9-yl)amino]-3-hydroxybutan-2-yl]acetamide is sourced from PubChem (CID 10026783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).