2-(benzotriazol-1-yl)-N-(furan-2-ylmethylideneamino)propanamide

C14H13N5O2 — CID 5050404

IUPAC2-(benzotriazol-1-yl)-N-(furan-2-ylmethylideneamino)propanamide
SMILESCC(C(=O)NN=Cc1ccco1)n1nnc2ccccc21
InChIInChI=1S/C14H13N5O2/c1-10(14(20)17-15-9-11-5-4-8-21-11)19-13-7-3-2-6-12(13)16-18-19/h2-10H,1H3,(H,17,20)
InChIKeyWYUXHYWZCUYUHI-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.74
Rot. Bonds4

About 2-(benzotriazol-1-yl)-N-(furan-2-ylmethylideneamino)propanamide

2-(benzotriazol-1-yl)-N-(furan-2-ylmethylideneamino)propanamide (PubChem CID 5050404) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-(furan-2-ylmethylideneamino)propanamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-(furan-2-ylmethylideneamino)propanamide
PubChem CID5050404
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name2-(benzotriazol-1-yl)-N-(furan-2-ylmethylideneamino)propanamide
SMILESCC(C(=O)NN=Cc1ccco1)n1nnc2ccccc21
InChIInChI=1S/C14H13N5O2/c1-10(14(20)17-15-9-11-5-4-8-21-11)19-13-7-3-2-6-12(13)16-18-19/h2-10H,1H3,(H,17,20)
InChIKeyWYUXHYWZCUYUHI-UHFFFAOYSA-N
XLogP1.74
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(2R)-2-(benzotriazol-1-yl)-N-[(Z)-(2-chlorophenyl)methylideneamino]propanamide
CID 5397371
(2S)-2-(benzotriazol-1-yl)-N-[(2-chlorophenyl)methylideneamino]propanamide
CID 721705
(2S)-2-(benzotriazol-1-yl)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide
CID 5397368
2-(benzotriazol-1-yl)-N-[(4-methoxyphenyl)methylideneamino]propanamide
CID 5112556
(2R)-2-(benzotriazol-1-yl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]propanamide
CID 5397344
(2S)-2-(benzotriazol-1-yl)-N-[(3-bromophenyl)methylideneamino]propanamide
CID 1219346
(2S)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(benzotriazol-1-yl)propanamide
CID 5397362
2-(benzotriazol-1-yl)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 5016769
(2S)-2-(benzotriazol-1-yl)-N-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]propanamide
CID 135688976
(2S)-2-(benzotriazol-1-yl)-N-[(Z)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]propanamide
CID 92849204
2-(benzotriazol-1-yl)-N-[1-(4-bromophenyl)ethylideneamino]propanamide
CID 2882425
2-(benzimidazol-1-yl)-N-(furan-2-ylmethylideneamino)acetamide
CID 697064

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-(furan-2-ylmethylideneamino)propanamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-(furan-2-ylmethylideneamino)propanamide (CID 5050404) is 2-(benzotriazol-1-yl)-N-(furan-2-ylmethylideneamino)propanamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-(furan-2-ylmethylideneamino)propanamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-(furan-2-ylmethylideneamino)propanamide is CC(C(=O)NN=Cc1ccco1)n1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-(furan-2-ylmethylideneamino)propanamide?
The InChIKey is WYUXHYWZCUYUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-10(14(20)17-15-9-11-5-4-8-21-11)19-13-7-3-2-6-12(13)16-18-19/h2-10H,1H3,(H,17,20).
What are the key properties of 2-(benzotriazol-1-yl)-N-(furan-2-ylmethylideneamino)propanamide?
2-(benzotriazol-1-yl)-N-(furan-2-ylmethylideneamino)propanamide has a molecular weight of 283.29 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-(furan-2-ylmethylideneamino)propanamide is sourced from PubChem (CID 5050404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).