2-(benzotriazol-1-yl)-N-[(Z)-1-(4-fluorophenyl)pentylideneamino]acetamide

C19H20FN5O — CID 8975823

IUPAC2-(benzotriazol-1-yl)-N-[(Z)-1-(4-fluorophenyl)pentylideneamino]acetamide
SMILESCCCC/C(=N/NC(=O)Cn1nnc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C19H20FN5O/c1-2-3-6-16(14-9-11-15(20)12-10-14)21-23-19(26)13-25-18-8-5-4-7-17(18)22-24-25/h4-5,7-12H,2-3,6,13H2,1H3,(H,23,26)/b21-16-
InChIKeyMWNXCRWTPPJBLW-PGMHBOJBSA-N
MW353.40 g/mol
LogP3.28
Rot. Bonds7

About 2-(benzotriazol-1-yl)-N-[(Z)-1-(4-fluorophenyl)pentylideneamino]acetamide

2-(benzotriazol-1-yl)-N-[(Z)-1-(4-fluorophenyl)pentylideneamino]acetamide (PubChem CID 8975823) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[(Z)-1-(4-fluorophenyl)pentylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[(Z)-1-(4-fluorophenyl)pentylideneamino]acetamide
PubChem CID8975823
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name2-(benzotriazol-1-yl)-N-[(Z)-1-(4-fluorophenyl)pentylideneamino]acetamide
SMILESCCCC/C(=N/NC(=O)Cn1nnc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C19H20FN5O/c1-2-3-6-16(14-9-11-15(20)12-10-14)21-23-19(26)13-25-18-8-5-4-7-17(18)22-24-25/h4-5,7-12H,2-3,6,13H2,1H3,(H,23,26)/b21-16-
InChIKeyMWNXCRWTPPJBLW-PGMHBOJBSA-N
XLogP3.28
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(benzotriazol-1-yl)-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6523910
2-(benzotriazol-1-yl)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide
CID 8976215
2-(benzotriazol-1-yl)-N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]acetamide
CID 8976213
2-(benzotriazol-1-yl)-N-[1-(3-bromophenyl)ethylideneamino]acetamide
CID 4259013
[4-[(Z)-N-[[2-(benzotriazol-1-yl)acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate
CID 5435004
2-(benzotriazol-1-yl)-N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]acetamide
CID 8975359
2-(benzotriazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 8025586
2-(benzotriazol-1-yl)-N-[(Z)-1,1-diphenylpropan-2-ylideneamino]acetamide
CID 8975762
2-(benzotriazol-1-yl)-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]acetamide
CID 6050680
2-(benzotriazol-1-yl)-N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]acetamide
CID 8975052
1-(benzotriazol-1-yl)undecan-2-one
CID 3783486
2-(benzotriazol-1-yl)-N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]acetamide
CID 8975811

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[(Z)-1-(4-fluorophenyl)pentylideneamino]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[(Z)-1-(4-fluorophenyl)pentylideneamino]acetamide (CID 8975823) is 2-(benzotriazol-1-yl)-N-[(Z)-1-(4-fluorophenyl)pentylideneamino]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[(Z)-1-(4-fluorophenyl)pentylideneamino]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[(Z)-1-(4-fluorophenyl)pentylideneamino]acetamide is CCCC/C(=N/NC(=O)Cn1nnc2ccccc21)c1ccc(F)cc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[(Z)-1-(4-fluorophenyl)pentylideneamino]acetamide?
The InChIKey is MWNXCRWTPPJBLW-PGMHBOJBSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-2-3-6-16(14-9-11-15(20)12-10-14)21-23-19(26)13-25-18-8-5-4-7-17(18)22-24-25/h4-5,7-12H,2-3,6,13H2,1H3,(H,23,26)/b21-16-.
What are the key properties of 2-(benzotriazol-1-yl)-N-[(Z)-1-(4-fluorophenyl)pentylideneamino]acetamide?
2-(benzotriazol-1-yl)-N-[(Z)-1-(4-fluorophenyl)pentylideneamino]acetamide has a molecular weight of 353.40 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[(Z)-1-(4-fluorophenyl)pentylideneamino]acetamide is sourced from PubChem (CID 8975823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).