(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-hydroxyethyl)imidazol-4-yl]pentanamide

C18H22F2N4O3 — CID 54581915

IUPAC(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-hydroxyethyl)imidazol-4-yl]pentanamide
SMILESCCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(CCO)cn1
InChIInChI=1S/C18H22F2N4O3/c1-2-3-15(18(27)23-16-10-24(4-5-25)11-21-16)22-17(26)8-12-6-13(19)9-14(20)7-12/h6-7,9-11,15,25H,2-5,8H2,1H3,(H,22,26)(H,23,27)/t15-/m0/s1
InChIKeyFKFVZYAGWHPLBU-HNNXBMFYSA-N
MW380.40 g/mol
LogP1.62
Rot. Bonds9

About (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-hydroxyethyl)imidazol-4-yl]pentanamide

(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-hydroxyethyl)imidazol-4-yl]pentanamide (PubChem CID 54581915) has the molecular formula C18H22F2N4O3 and a molecular weight of 380.40 g/mol. Its IUPAC name is (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-hydroxyethyl)imidazol-4-yl]pentanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-hydroxyethyl)imidazol-4-yl]pentanamide
PubChem CID54581915
Molecular FormulaC18H22F2N4O3
Molecular Weight380.40 g/mol
Exact Mass380.17
IUPAC Name(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-hydroxyethyl)imidazol-4-yl]pentanamide
SMILESCCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(CCO)cn1
InChIInChI=1S/C18H22F2N4O3/c1-2-3-15(18(27)23-16-10-24(4-5-25)11-21-16)22-17(26)8-12-6-13(19)9-14(20)7-12/h6-7,9-11,15,25H,2-5,8H2,1H3,(H,22,26)(H,23,27)/t15-/m0/s1
InChIKeyFKFVZYAGWHPLBU-HNNXBMFYSA-N
XLogP1.62
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-hydroxyethyl)imidazol-4-yl]pentanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-hydroxyethyl)imidazol-4-yl]pentanamide?
The IUPAC name of (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-hydroxyethyl)imidazol-4-yl]pentanamide (CID 54581915) is (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-hydroxyethyl)imidazol-4-yl]pentanamide.
What is the SMILES notation for (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-hydroxyethyl)imidazol-4-yl]pentanamide?
The canonical SMILES for (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-hydroxyethyl)imidazol-4-yl]pentanamide is CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(CCO)cn1.
What is the InChIKey of (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-hydroxyethyl)imidazol-4-yl]pentanamide?
The InChIKey is FKFVZYAGWHPLBU-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22F2N4O3/c1-2-3-15(18(27)23-16-10-24(4-5-25)11-21-16)22-17(26)8-12-6-13(19)9-14(20)7-12/h6-7,9-11,15,25H,2-5,8H2,1H3,(H,22,26)(H,23,27)/t15-/m0/s1.
What are the key properties of (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-hydroxyethyl)imidazol-4-yl]pentanamide?
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-hydroxyethyl)imidazol-4-yl]pentanamide has a molecular weight of 380.40 g/mol, XLogP of 1.62, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-hydroxyethyl)imidazol-4-yl]pentanamide is sourced from PubChem (CID 54581915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).