2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)acetamide

C25H26FN5O3 — CID 3206266

IUPAC2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)acetamide
SMILESCCCCN(C(=O)Cn1nnc2ccccc21)C(C(=O)NCc1ccco1)c1ccccc1F
InChIInChI=1S/C25H26FN5O3/c1-2-3-14-30(23(32)17-31-22-13-7-6-12-21(22)28-29-31)24(19-10-4-5-11-20(19)26)25(33)27-16-18-9-8-15-34-18/h4-13,15,24H,2-3,14,16-17H2,1H3,(H,27,33)
InChIKeyIZNNNDMDHAEYJW-UHFFFAOYSA-N
MW463.51 g/mol
LogP3.85
Rot. Bonds10

About 2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)acetamide

2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 3206266) has the molecular formula C25H26FN5O3 and a molecular weight of 463.51 g/mol. Its IUPAC name is 2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)acetamide
PubChem CID3206266
Molecular FormulaC25H26FN5O3
Molecular Weight463.51 g/mol
Exact Mass463.20
IUPAC Name2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)acetamide
SMILESCCCCN(C(=O)Cn1nnc2ccccc21)C(C(=O)NCc1ccco1)c1ccccc1F
InChIInChI=1S/C25H26FN5O3/c1-2-3-14-30(23(32)17-31-22-13-7-6-12-21(22)28-29-31)24(19-10-4-5-11-20(19)26)25(33)27-16-18-9-8-15-34-18/h4-13,15,24H,2-3,14,16-17H2,1H3,(H,27,33)
InChIKeyIZNNNDMDHAEYJW-UHFFFAOYSA-N
XLogP3.85
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-N-(furan-2-ylmethyl)-2-(3-methoxyphenyl)acetamide
CID 3206294
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-benzyl-2-(2-fluorophenyl)acetamide
CID 1463512
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-propan-2-ylamino]-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 1465835
2-[[2-(benzotriazol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide
CID 3206184
2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)-2-pyridin-4-ylacetamide
CID 3206245
2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methylanilino)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 3206316
(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methylanilino)-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide
CID 1439846
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
2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)acetamide
CID 3856753
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(furan-2-ylmethyl)-2-thiophen-2-ylacetamide
CID 1439872
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(furan-2-ylmethyl)-2-(4-methylphenyl)acetamide
CID 1465820

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)acetamide (CID 3206266) is 2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)acetamide is CCCCN(C(=O)Cn1nnc2ccccc21)C(C(=O)NCc1ccco1)c1ccccc1F.
What is the InChIKey of 2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is IZNNNDMDHAEYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O3/c1-2-3-14-30(23(32)17-31-22-13-7-6-12-21(22)28-29-31)24(19-10-4-5-11-20(19)26)25(33)27-16-18-9-8-15-34-18/h4-13,15,24H,2-3,14,16-17H2,1H3,(H,27,33).
What are the key properties of 2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)acetamide?
2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 463.51 g/mol, XLogP of 3.85, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzotriazol-1-yl)acetyl]-butylamino]-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 3206266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).