2,4-dimethoxy-N-(2-phenylbenzotriazol-5-yl)benzamide

C21H18N4O3 — CID 17274693

IUPAC2,4-dimethoxy-N-(2-phenylbenzotriazol-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)c(OC)c1
InChIInChI=1S/C21H18N4O3/c1-27-16-9-10-17(20(13-16)28-2)21(26)22-14-8-11-18-19(12-14)24-25(23-18)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,22,26)
InChIKeyPMPXSNYQXNLOKY-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.69
Rot. Bonds5

About 2,4-dimethoxy-N-(2-phenylbenzotriazol-5-yl)benzamide

2,4-dimethoxy-N-(2-phenylbenzotriazol-5-yl)benzamide (PubChem CID 17274693) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2,4-dimethoxy-N-(2-phenylbenzotriazol-5-yl)benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-(2-phenylbenzotriazol-5-yl)benzamide
PubChem CID17274693
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name2,4-dimethoxy-N-(2-phenylbenzotriazol-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)c(OC)c1
InChIInChI=1S/C21H18N4O3/c1-27-16-9-10-17(20(13-16)28-2)21(26)22-14-8-11-18-19(12-14)24-25(23-18)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,22,26)
InChIKeyPMPXSNYQXNLOKY-UHFFFAOYSA-N
XLogP3.69
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2,4-dimethoxybenzamide
CID 17027052
N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-2-methylbenzamide
CID 1102702
2-iodo-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 1493062
N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methoxybenzamide
CID 1216166
2-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17219663
N-(2-phenylbenzotriazol-5-yl)naphthalene-1-carboxamide
CID 3116204
2,4-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 1095349
4-methoxy-3-nitro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 1095350
N-[2-(3-chlorophenyl)benzotriazol-5-yl]-3-methoxybenzamide
CID 3117312
N-[2-(4-methoxyphenyl)benzotriazol-5-yl]thiophene-2-carboxamide
CID 1141365
2,5-dichloro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17219665
5-bromo-2-methoxy-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide
CID 1338406

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-(2-phenylbenzotriazol-5-yl)benzamide?
The IUPAC name of 2,4-dimethoxy-N-(2-phenylbenzotriazol-5-yl)benzamide (CID 17274693) is 2,4-dimethoxy-N-(2-phenylbenzotriazol-5-yl)benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-(2-phenylbenzotriazol-5-yl)benzamide?
The canonical SMILES for 2,4-dimethoxy-N-(2-phenylbenzotriazol-5-yl)benzamide is COc1ccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-(2-phenylbenzotriazol-5-yl)benzamide?
The InChIKey is PMPXSNYQXNLOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-27-16-9-10-17(20(13-16)28-2)21(26)22-14-8-11-18-19(12-14)24-25(23-18)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,22,26).
What are the key properties of 2,4-dimethoxy-N-(2-phenylbenzotriazol-5-yl)benzamide?
2,4-dimethoxy-N-(2-phenylbenzotriazol-5-yl)benzamide has a molecular weight of 374.40 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-(2-phenylbenzotriazol-5-yl)benzamide is sourced from PubChem (CID 17274693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).