2-(benzotriazol-1-yl)-N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]acetamide

C17H15F2N5O3 — CID 8976006

IUPAC2-(benzotriazol-1-yl)-N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]acetamide
SMILESCOc1cccc(/C=N\NC(=O)Cn2nnc3ccccc32)c1OC(F)F
InChIInChI=1S/C17H15F2N5O3/c1-26-14-8-4-5-11(16(14)27-17(18)19)9-20-22-15(25)10-24-13-7-3-2-6-12(13)21-23-24/h2-9,17H,10H2,1H3,(H,22,25)/b20-9-
InChIKeyBCRJSHZIKDYBDJ-UKWGHVSLSA-N
MW375.34 g/mol
LogP2.19
Rot. Bonds7

About 2-(benzotriazol-1-yl)-N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]acetamide

2-(benzotriazol-1-yl)-N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]acetamide (PubChem CID 8976006) has the molecular formula C17H15F2N5O3 and a molecular weight of 375.34 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]acetamide
PubChem CID8976006
Molecular FormulaC17H15F2N5O3
Molecular Weight375.34 g/mol
Exact Mass375.11
IUPAC Name2-(benzotriazol-1-yl)-N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]acetamide
SMILESCOc1cccc(/C=N\NC(=O)Cn2nnc3ccccc32)c1OC(F)F
InChIInChI=1S/C17H15F2N5O3/c1-26-14-8-4-5-11(16(14)27-17(18)19)9-20-22-15(25)10-24-13-7-3-2-6-12(13)21-23-24/h2-9,17H,10H2,1H3,(H,22,25)/b20-9-
InChIKeyBCRJSHZIKDYBDJ-UKWGHVSLSA-N
XLogP2.19
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

CID 9557770
CID 9557770
CID 135635860
CID 135635860
CID 6889192
CID 6889192
CID 135517146
CID 135517146
CID 6866690
CID 6866690
CID 135439748
CID 135439748
CID 646800
CID 646800
CID 5509654
CID 5509654
CID 6866689
CID 6866689
CID 135439777
CID 135439777
CID 135455138
CID 135455138
CID 135490295
CID 135490295

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]acetamide (CID 8976006) is 2-(benzotriazol-1-yl)-N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]acetamide is COc1cccc(/C=N\NC(=O)Cn2nnc3ccccc32)c1OC(F)F.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]acetamide?
The InChIKey is BCRJSHZIKDYBDJ-UKWGHVSLSA-N. The full InChI is InChI=1S/C17H15F2N5O3/c1-26-14-8-4-5-11(16(14)27-17(18)19)9-20-22-15(25)10-24-13-7-3-2-6-12(13)21-23-24/h2-9,17H,10H2,1H3,(H,22,25)/b20-9-.
What are the key properties of 2-(benzotriazol-1-yl)-N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]acetamide?
2-(benzotriazol-1-yl)-N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]acetamide has a molecular weight of 375.34 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]acetamide is sourced from PubChem (CID 8976006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).