(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-benzyl-2-(2-fluorophenyl)acetamide

C30H26FN5O2 — CID 1463512

IUPAC(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-benzyl-2-(2-fluorophenyl)acetamide
SMILESO=C(NCc1ccccc1)[C@@H](c1ccccc1F)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C30H26FN5O2/c31-25-16-8-7-15-24(25)29(30(38)32-19-22-11-3-1-4-12-22)35(20-23-13-5-2-6-14-23)28(37)21-36-27-18-10-9-17-26(27)33-34-36/h1-18,29H,19-21H2,(H,32,38)/t29-/m1/s1
InChIKeyAFIPCYREVZETIV-GDLZYMKVSA-N
MW507.57 g/mol
LogP4.66
Rot. Bonds9

About (2R)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-benzyl-2-(2-fluorophenyl)acetamide

(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-benzyl-2-(2-fluorophenyl)acetamide (PubChem CID 1463512) has the molecular formula C30H26FN5O2 and a molecular weight of 507.57 g/mol. Its IUPAC name is (2R)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-benzyl-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-benzyl-2-(2-fluorophenyl)acetamide
PubChem CID1463512
Molecular FormulaC30H26FN5O2
Molecular Weight507.57 g/mol
Exact Mass507.21
IUPAC Name(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-benzyl-2-(2-fluorophenyl)acetamide
SMILESO=C(NCc1ccccc1)[C@@H](c1ccccc1F)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C30H26FN5O2/c31-25-16-8-7-15-24(25)29(30(38)32-19-22-11-3-1-4-12-22)35(20-23-13-5-2-6-14-23)28(37)21-36-27-18-10-9-17-26(27)33-34-36/h1-18,29H,19-21H2,(H,32,38)/t29-/m1/s1
InChIKeyAFIPCYREVZETIV-GDLZYMKVSA-N
XLogP4.66
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.57
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-benzyl-2-(2-fluorophenyl)acetamide 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

2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-N-benzyl-2-(2-fluorophenyl)acetamide
CID 3197740
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-N-benzyl-2-(2-fluorophenyl)acetamide
CID 1463501
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-benzyl-2-(2-fluorophenyl)acetamide
CID 1463507
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-benzyl-2-(2-ethoxyphenyl)acetamide
CID 98102402
2-[[2-(benzotriazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-N-benzyl-2-(2-fluorophenyl)acetamide
CID 3197742
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-benzyl-2-(2-methylphenyl)acetamide
CID 1463555
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-2-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 25314310
2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(2-fluorophenyl)-N-(2-methoxyethyl)acetamide
CID 3212117
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxy-5-methylanilino)-N-benzyl-2-(2-fluorophenyl)acetamide
CID 1463528
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 1463436
2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 3206266
(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2,6-dimethylanilino)-N-benzyl-2-(2-methylphenyl)acetamide
CID 1463588

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-benzyl-2-(2-fluorophenyl)acetamide?
The IUPAC name of (2R)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-benzyl-2-(2-fluorophenyl)acetamide (CID 1463512) is (2R)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-benzyl-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for (2R)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-benzyl-2-(2-fluorophenyl)acetamide?
The canonical SMILES for (2R)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-benzyl-2-(2-fluorophenyl)acetamide is O=C(NCc1ccccc1)[C@@H](c1ccccc1F)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21.
What is the InChIKey of (2R)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-benzyl-2-(2-fluorophenyl)acetamide?
The InChIKey is AFIPCYREVZETIV-GDLZYMKVSA-N. The full InChI is InChI=1S/C30H26FN5O2/c31-25-16-8-7-15-24(25)29(30(38)32-19-22-11-3-1-4-12-22)35(20-23-13-5-2-6-14-23)28(37)21-36-27-18-10-9-17-26(27)33-34-36/h1-18,29H,19-21H2,(H,32,38)/t29-/m1/s1.
What are the key properties of (2R)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-benzyl-2-(2-fluorophenyl)acetamide?
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-benzyl-2-(2-fluorophenyl)acetamide has a molecular weight of 507.57 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-benzyl-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 1463512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).