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

C22H21N5O2 — CID 1216166

IUPACN-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc2nn(-c3ccc(N(C)C)cc3)nc2c1
InChIInChI=1S/C22H21N5O2/c1-26(2)16-9-11-17(12-10-16)27-24-19-13-8-15(14-20(19)25-27)23-22(28)18-6-4-5-7-21(18)29-3/h4-14H,1-3H3,(H,23,28)
InChIKeyVEAXUZOAWOJZPY-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.75
Rot. Bonds5

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

N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methoxybenzamide (PubChem CID 1216166) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methoxybenzamide
PubChem CID1216166
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC NameN-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc2nn(-c3ccc(N(C)C)cc3)nc2c1
InChIInChI=1S/C22H21N5O2/c1-26(2)16-9-11-17(12-10-16)27-24-19-13-8-15(14-20(19)25-27)23-22(28)18-6-4-5-7-21(18)29-3/h4-14H,1-3H3,(H,23,28)
InChIKeyVEAXUZOAWOJZPY-UHFFFAOYSA-N
XLogP3.75
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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]benzamide
CID 1215874
2,4-dimethoxy-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17274693
2-methoxy-N-(2-naphthalen-1-ylbenzotriazol-5-yl)benzamide
CID 1336954
N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-methylbenzamide
CID 1102702
2-iodo-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 1493062
2-bromo-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 17220188
2,3-dichloro-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 17220198
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3,4-dimethoxybenzamide
CID 5035579
5-bromo-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2-methoxybenzamide
CID 4039694
2-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17219663
N-(2-phenylbenzotriazol-5-yl)naphthalene-1-carboxamide
CID 3116204
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2,4-dimethoxybenzamide
CID 17027052

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methoxybenzamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methoxybenzamide (CID 1216166) is N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc2nn(-c3ccc(N(C)C)cc3)nc2c1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methoxybenzamide?
The InChIKey is VEAXUZOAWOJZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-26(2)16-9-11-17(12-10-16)27-24-19-13-8-15(14-20(19)25-27)23-22(28)18-6-4-5-7-21(18)29-3/h4-14H,1-3H3,(H,23,28).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methoxybenzamide?
N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methoxybenzamide has a molecular weight of 387.44 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methoxybenzamide is sourced from PubChem (CID 1216166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).