N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]benzamide

C21H19N5O — CID 1215874

IUPACN-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]benzamide
SMILESCN(C)c1ccc(-n2nc3ccc(NC(=O)c4ccccc4)cc3n2)cc1
InChIInChI=1S/C21H19N5O/c1-25(2)17-9-11-18(12-10-17)26-23-19-13-8-16(14-20(19)24-26)22-21(27)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,22,27)
InChIKeySXKYCTWCNLNTNZ-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.74
Rot. Bonds4

About N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]benzamide

N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]benzamide (PubChem CID 1215874) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]benzamide
PubChem CID1215874
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]benzamide
SMILESCN(C)c1ccc(-n2nc3ccc(NC(=O)c4ccccc4)cc3n2)cc1
InChIInChI=1S/C21H19N5O/c1-25(2)17-9-11-18(12-10-17)26-23-19-13-8-16(14-20(19)24-26)22-21(27)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,22,27)
InChIKeySXKYCTWCNLNTNZ-UHFFFAOYSA-N
XLogP3.74
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methoxybenzamide
CID 1216166
4-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 3116199
N-[2-[4-(diethylamino)phenyl]benzotriazol-5-yl]pyridine-4-carboxamide
CID 68555772
N-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide
CID 740259
N-(2-phenylbenzotriazol-5-yl)-4-propoxybenzamide
CID 2276912
3,5-dinitro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 3117220
4-ethyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide
CID 17101782
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide
CID 1363610
N-(2-phenylbenzotriazol-5-yl)naphthalene-1-carboxamide
CID 3116204
2-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17219663
3-bromo-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide
CID 1362333
3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]benzamide
CID 1333527

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]benzamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]benzamide (CID 1215874) is N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]benzamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]benzamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]benzamide is CN(C)c1ccc(-n2nc3ccc(NC(=O)c4ccccc4)cc3n2)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]benzamide?
The InChIKey is SXKYCTWCNLNTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-25(2)17-9-11-18(12-10-17)26-23-19-13-8-16(14-20(19)24-26)22-21(27)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,22,27).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]benzamide?
N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]benzamide has a molecular weight of 357.42 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]benzamide is sourced from PubChem (CID 1215874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).