2-(benzotriazol-1-yl)-N-[1-(3-bromophenyl)ethylideneamino]acetamide

C16H14BrN5O — CID 4259013

IUPAC2-(benzotriazol-1-yl)-N-[1-(3-bromophenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)Cn1nnc2ccccc21)c1cccc(Br)c1
InChIInChI=1S/C16H14BrN5O/c1-11(12-5-4-6-13(17)9-12)18-20-16(23)10-22-15-8-3-2-7-14(15)19-21-22/h2-9H,10H2,1H3,(H,20,23)
InChIKeySKDDFDZHWTUFOA-UHFFFAOYSA-N
MW372.23 g/mol
LogP2.73
Rot. Bonds4

About 2-(benzotriazol-1-yl)-N-[1-(3-bromophenyl)ethylideneamino]acetamide

2-(benzotriazol-1-yl)-N-[1-(3-bromophenyl)ethylideneamino]acetamide (PubChem CID 4259013) has the molecular formula C16H14BrN5O and a molecular weight of 372.23 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[1-(3-bromophenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[1-(3-bromophenyl)ethylideneamino]acetamide
PubChem CID4259013
Molecular FormulaC16H14BrN5O
Molecular Weight372.23 g/mol
Exact Mass371.04
IUPAC Name2-(benzotriazol-1-yl)-N-[1-(3-bromophenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)Cn1nnc2ccccc21)c1cccc(Br)c1
InChIInChI=1S/C16H14BrN5O/c1-11(12-5-4-6-13(17)9-12)18-20-16(23)10-22-15-8-3-2-7-14(15)19-21-22/h2-9H,10H2,1H3,(H,20,23)
InChIKeySKDDFDZHWTUFOA-UHFFFAOYSA-N
XLogP2.73
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.23
LogP ≤ 52.73
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-[1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 5080469
2-(benzotriazol-1-yl)-N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]acetamide
CID 8976213
2-(benzotriazol-1-yl)-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6523910
2-(benzotriazol-1-yl)-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]acetamide
CID 4259010
[4-[(Z)-N-[[2-(benzotriazol-1-yl)acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate
CID 5435004
2-(benzotriazol-1-yl)-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]acetamide
CID 6050680
2-(benzotriazol-1-yl)-N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]acetamide
CID 8975909
2-(benzotriazol-1-yl)-N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]acetamide
CID 8975359
2-(benzotriazol-1-yl)-N-[(Z)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethylideneamino]acetamide
CID 8978614
2-(benzotriazol-1-yl)-N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]acetamide
CID 8975052
N-(3-acetylphenyl)-2-(benzotriazol-1-yl)acetamide
CID 863030
2-(benzotriazol-1-yl)-N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]acetamide
CID 6165268

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[1-(3-bromophenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[1-(3-bromophenyl)ethylideneamino]acetamide (CID 4259013) is 2-(benzotriazol-1-yl)-N-[1-(3-bromophenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[1-(3-bromophenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[1-(3-bromophenyl)ethylideneamino]acetamide is CC(=NNC(=O)Cn1nnc2ccccc21)c1cccc(Br)c1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[1-(3-bromophenyl)ethylideneamino]acetamide?
The InChIKey is SKDDFDZHWTUFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5O/c1-11(12-5-4-6-13(17)9-12)18-20-16(23)10-22-15-8-3-2-7-14(15)19-21-22/h2-9H,10H2,1H3,(H,20,23).
What are the key properties of 2-(benzotriazol-1-yl)-N-[1-(3-bromophenyl)ethylideneamino]acetamide?
2-(benzotriazol-1-yl)-N-[1-(3-bromophenyl)ethylideneamino]acetamide has a molecular weight of 372.23 g/mol, XLogP of 2.73, 4 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-[1-(3-bromophenyl)ethylideneamino]acetamide is sourced from PubChem (CID 4259013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).