2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide

C27H25F2N5O2 — CID 3198345

IUPAC2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide
SMILESO=C(NC1CCCC1)C(c1ccccc1F)N(C(=O)Cn1nnc2ccccc21)c1ccccc1F
InChIInChI=1S/C27H25F2N5O2/c28-20-12-4-3-11-19(20)26(27(36)30-18-9-1-2-10-18)34(23-15-7-5-13-21(23)29)25(35)17-33-24-16-8-6-14-22(24)31-32-33/h3-8,11-16,18,26H,1-2,9-10,17H2,(H,30,36)
InChIKeyOXBSQAKXCHLMTF-UHFFFAOYSA-N
MW489.53 g/mol
LogP4.54
Rot. Bonds7

About 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide

2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide (PubChem CID 3198345) has the molecular formula C27H25F2N5O2 and a molecular weight of 489.53 g/mol. Its IUPAC name is 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide
PubChem CID3198345
Molecular FormulaC27H25F2N5O2
Molecular Weight489.53 g/mol
Exact Mass489.20
IUPAC Name2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide
SMILESO=C(NC1CCCC1)C(c1ccccc1F)N(C(=O)Cn1nnc2ccccc21)c1ccccc1F
InChIInChI=1S/C27H25F2N5O2/c28-20-12-4-3-11-19(20)26(27(36)30-18-9-1-2-10-18)34(23-15-7-5-13-21(23)29)25(35)17-33-24-16-8-6-14-22(24)31-32-33/h3-8,11-16,18,26H,1-2,9-10,17H2,(H,30,36)
InChIKeyOXBSQAKXCHLMTF-UHFFFAOYSA-N
XLogP4.54
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-cyclopentyl-2-(2-ethoxyphenyl)acetamide
CID 3198300
2-(N-[2-(benzotriazol-1-yl)acetyl]-2,6-dimethylanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide
CID 3198363
2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methoxyanilino)-N-cyclohexyl-2-(2-fluorophenyl)acetamide
CID 3197917
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)acetamide
CID 98102541
(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2,4-dimethoxyanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide
CID 98102960
2-(N-[2-(benzotriazol-1-yl)acetyl]-3,5-dimethoxyanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide
CID 3198354
methyl 4-[[2-(benzotriazol-1-yl)acetyl]-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]amino]benzoate
CID 3197904
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide
CID 98102475
2-[[2-(benzotriazol-1-yl)acetyl]-(oxolan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide
CID 3197901
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methylanilino)-2-(2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 25314154
(2S)-2-[1,3-benzodioxol-5-ylmethyl-[2-(benzotriazol-1-yl)acetyl]amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide
CID 98102459
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-benzyl-2-(2-methylphenyl)acetamide
CID 1463555

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide (CID 3198345) is 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide is O=C(NC1CCCC1)C(c1ccccc1F)N(C(=O)Cn1nnc2ccccc21)c1ccccc1F.
What is the InChIKey of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide?
The InChIKey is OXBSQAKXCHLMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N5O2/c28-20-12-4-3-11-19(20)26(27(36)30-18-9-1-2-10-18)34(23-15-7-5-13-21(23)29)25(35)17-33-24-16-8-6-14-22(24)31-32-33/h3-8,11-16,18,26H,1-2,9-10,17H2,(H,30,36).
What are the key properties of 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide?
2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide has a molecular weight of 489.53 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-cyclopentyl-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 3198345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).