N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-4-phenylmethoxybenzamide

C27H21ClN4O3 — CID 17220216

IUPACN-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-4-phenylmethoxybenzamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(OCc5ccccc5)cc4)cc3n2)cc1Cl
InChIInChI=1S/C27H21ClN4O3/c1-34-26-14-10-21(16-23(26)28)32-30-24-13-9-20(15-25(24)31-32)29-27(33)19-7-11-22(12-8-19)35-17-18-5-3-2-4-6-18/h2-16H,17H2,1H3,(H,29,33)
InChIKeyUQAPXSKSDALENA-UHFFFAOYSA-N
MW484.94 g/mol
LogP5.91
Rot. Bonds7

About N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-4-phenylmethoxybenzamide

N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-4-phenylmethoxybenzamide (PubChem CID 17220216) has the molecular formula C27H21ClN4O3 and a molecular weight of 484.94 g/mol. Its IUPAC name is N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-4-phenylmethoxybenzamide
PubChem CID17220216
Molecular FormulaC27H21ClN4O3
Molecular Weight484.94 g/mol
Exact Mass484.13
IUPAC NameN-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-4-phenylmethoxybenzamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(OCc5ccccc5)cc4)cc3n2)cc1Cl
InChIInChI=1S/C27H21ClN4O3/c1-34-26-14-10-21(16-23(26)28)32-30-24-13-9-20(15-25(24)31-32)29-27(33)19-7-11-22(12-8-19)35-17-18-5-3-2-4-6-18/h2-16H,17H2,1H3,(H,29,33)
InChIKeyUQAPXSKSDALENA-UHFFFAOYSA-N
XLogP5.91
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.94
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2S)-butan-2-yl]oxy-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 29093951
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-3,5-dimethoxybenzamide
CID 17220209
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]pyridine-3-carboxamide
CID 21229425
3-[(2S)-butan-2-yl]oxy-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 29093949
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2,4-dimethoxybenzamide
CID 17027052
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
4-butan-2-yloxy-N-[[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide
CID 3645366
N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-4-phenylmethoxybenzamide
CID 17314469
N-(2-phenylbenzotriazol-5-yl)-4-propoxybenzamide
CID 2276912
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2-(2-fluorophenoxy)acetamide
CID 17220308
N-[2-(3-chlorophenyl)benzotriazol-5-yl]benzamide
CID 740259

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-4-phenylmethoxybenzamide?
The IUPAC name of N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-4-phenylmethoxybenzamide (CID 17220216) is N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-4-phenylmethoxybenzamide?
The canonical SMILES for N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-4-phenylmethoxybenzamide is COc1ccc(-n2nc3ccc(NC(=O)c4ccc(OCc5ccccc5)cc4)cc3n2)cc1Cl.
What is the InChIKey of N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-4-phenylmethoxybenzamide?
The InChIKey is UQAPXSKSDALENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN4O3/c1-34-26-14-10-21(16-23(26)28)32-30-24-13-9-20(15-25(24)31-32)29-27(33)19-7-11-22(12-8-19)35-17-18-5-3-2-4-6-18/h2-16H,17H2,1H3,(H,29,33).
What are the key properties of N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-4-phenylmethoxybenzamide?
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-4-phenylmethoxybenzamide has a molecular weight of 484.94 g/mol, XLogP of 5.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-4-phenylmethoxybenzamide is sourced from PubChem (CID 17220216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).