(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide

C26H24FN5O2 — CID 1463432

IUPAC(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
SMILESO=C(NCc1ccc(F)cc1)[C@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)C1CC1
InChIInChI=1S/C26H24FN5O2/c27-20-12-10-18(11-13-20)16-28-26(34)25(19-6-2-1-3-7-19)32(21-14-15-21)24(33)17-31-23-9-5-4-8-22(23)29-30-31/h1-13,21,25H,14-17H2,(H,28,34)/t25-/m0/s1
InChIKeyODENIRXTGGGPCX-VWLOTQADSA-N
MW457.51 g/mol
LogP3.62
Rot. Bonds8

About (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide

(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide (PubChem CID 1463432) has the molecular formula C26H24FN5O2 and a molecular weight of 457.51 g/mol. Its IUPAC name is (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
PubChem CID1463432
Molecular FormulaC26H24FN5O2
Molecular Weight457.51 g/mol
Exact Mass457.19
IUPAC Name(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
SMILESO=C(NCc1ccc(F)cc1)[C@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)C1CC1
InChIInChI=1S/C26H24FN5O2/c27-20-12-10-18(11-13-20)16-28-26(34)25(19-6-2-1-3-7-19)32(21-14-15-21)24(33)17-31-23-9-5-4-8-22(23)29-30-31/h1-13,21,25H,14-17H2,(H,28,34)/t25-/m0/s1
InChIKeyODENIRXTGGGPCX-VWLOTQADSA-N
XLogP3.62
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide 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

(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-[[(2R)-oxolan-2-yl]methyl]amino]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 40819241
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 1463436
2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methoxyanilino)-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 3197065
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide
CID 1465793
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopentylamino]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide
CID 25312169
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(3-methylbutyl)-2-phenylacetamide
CID 25456178
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclohexylamino]-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylacetamide
CID 25312145
2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-(3-methylbutyl)-2-pyridin-3-ylacetamide
CID 3198494
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-benzyl-2-(2-fluorophenyl)acetamide
CID 1463512
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 1155747
2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide
CID 3191663
2-[[2-(benzotriazol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide
CID 3206184

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide (CID 1463432) is (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide is O=C(NCc1ccc(F)cc1)[C@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)C1CC1.
What is the InChIKey of (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide?
The InChIKey is ODENIRXTGGGPCX-VWLOTQADSA-N. The full InChI is InChI=1S/C26H24FN5O2/c27-20-12-10-18(11-13-20)16-28-26(34)25(19-6-2-1-3-7-19)32(21-14-15-21)24(33)17-31-23-9-5-4-8-22(23)29-30-31/h1-13,21,25H,14-17H2,(H,28,34)/t25-/m0/s1.
What are the key properties of (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide?
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide has a molecular weight of 457.51 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide is sourced from PubChem (CID 1463432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).