3-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-5-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride

C34H39ClF3N3O4 — CID 69358066

IUPAC3-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-5-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
SMILESCl.O=C(N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC(F)(F)F)c1)c1cc(C2CCCC2)cc(N2CCCC2=O)c1
InChIInChI=1S/C34H38F3N3O4.ClH/c35-34(36,37)44-29-13-6-10-24(16-29)21-38-22-31(41)30(17-23-8-2-1-3-9-23)39-33(43)27-18-26(25-11-4-5-12-25)19-28(20-27)40-15-7-14-32(40)42;/h1-3,6,8-10,13,16,18-20,25,30-31,38,41H,4-5,7,11-12,14-15,17,21-22H2,(H,39,43);1H/t30-,31+;/m0./s1
InChIKeyJEJUCCLDAZQULF-LBYXUWKHSA-N
MW646.15 g/mol
LogP6.28
Rot. Bonds12

About 3-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-5-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride

3-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-5-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride (PubChem CID 69358066) has the molecular formula C34H39ClF3N3O4 and a molecular weight of 646.15 g/mol. Its IUPAC name is 3-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-5-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-5-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
PubChem CID69358066
Molecular FormulaC34H39ClF3N3O4
Molecular Weight646.15 g/mol
Exact Mass645.26
IUPAC Name3-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-5-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
SMILESCl.O=C(N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC(F)(F)F)c1)c1cc(C2CCCC2)cc(N2CCCC2=O)c1
InChIInChI=1S/C34H38F3N3O4.ClH/c35-34(36,37)44-29-13-6-10-24(16-29)21-38-22-31(41)30(17-23-8-2-1-3-9-23)39-33(43)27-18-26(25-11-4-5-12-25)19-28(20-27)40-15-7-14-32(40)42;/h1-3,6,8-10,13,16,18-20,25,30-31,38,41H,4-5,7,11-12,14-15,17,21-22H2,(H,39,43);1H/t30-,31+;/m0./s1
InChIKeyJEJUCCLDAZQULF-LBYXUWKHSA-N
XLogP6.28
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.15
LogP ≤ 56.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-5-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclohexyl-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-5-(2-oxopyrrolidin-1-yl)benzamide
CID 10370783
N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-3-(2-oxopyrrolidin-1-yl)-5-(2-phenylethyl)benzamide
CID 10031361
N-[(2S,3S)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-3-(2-oxopyrrolidin-1-yl)-5-propan-2-ylbenzamide
CID 69358561
N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-3-(2-oxopyrrolidin-1-yl)-5-(2-phenylethenyl)benzamide
CID 69356480
3-(ethylamino)-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-5-(2-oxopyrrolidin-1-yl)benzamide
CID 10348155
N-[(2S,3S)-4-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]-3-cyclopentyl-5-(2-oxopyrrolidin-1-yl)benzamide
CID 69360680
3-cyclopentyl-5-(1,1-dihydroxythiazinan-2-yl)-N-[(2S,3S)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]benzamide;hydrochloride
CID 69360880
3-(ethylamino)-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]-5-(2-oxopyrrolidin-1-yl)benzamide
CID 10008157
3-(ethylamino)-N-[3-hydroxy-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]-5-(2-oxopyrrolidin-1-yl)benzamide
CID 57484589
3-(1,1-dihydroxythiazinan-2-yl)-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-5-propan-2-yloxybenzamide;hydrochloride
CID 69358188
3-cyclopentyl-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)-N-[(2S,3S)-4-[(3,5-dimethoxyphenyl)methylamino]-3-hydroxy-1-phenylbutan-2-yl]benzamide
CID 69360415
3-cyclohexyl-N-[(2S,3S)-4-[cyclohexylcarbamoyl(ethyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-5-(2-oxopyrrolidin-1-yl)benzamide
CID 69358292

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-5-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride?
The IUPAC name of 3-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-5-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride (CID 69358066) is 3-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-5-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride.
What is the SMILES notation for 3-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-5-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride?
The canonical SMILES for 3-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-5-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride is Cl.O=C(N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC(F)(F)F)c1)c1cc(C2CCCC2)cc(N2CCCC2=O)c1.
What is the InChIKey of 3-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-5-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride?
The InChIKey is JEJUCCLDAZQULF-LBYXUWKHSA-N. The full InChI is InChI=1S/C34H38F3N3O4.ClH/c35-34(36,37)44-29-13-6-10-24(16-29)21-38-22-31(41)30(17-23-8-2-1-3-9-23)39-33(43)27-18-26(25-11-4-5-12-25)19-28(20-27)40-15-7-14-32(40)42;/h1-3,6,8-10,13,16,18-20,25,30-31,38,41H,4-5,7,11-12,14-15,17,21-22H2,(H,39,43);1H/t30-,31+;/m0./s1.
What are the key properties of 3-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-5-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride?
3-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-5-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride has a molecular weight of 646.15 g/mol, XLogP of 6.28, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-5-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride is sourced from PubChem (CID 69358066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).