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

C22H19ClN4O4 — CID 17220209

IUPACN-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc3nn(-c4ccc(OC)c(Cl)c4)nc3c2)c1
InChIInChI=1S/C22H19ClN4O4/c1-29-16-8-13(9-17(12-16)30-2)22(28)24-14-4-6-19-20(10-14)26-27(25-19)15-5-7-21(31-3)18(23)11-15/h4-12H,1-3H3,(H,24,28)
InChIKeyZIEYDRUQCVTDKL-UHFFFAOYSA-N
MW438.87 g/mol
LogP4.35
Rot. Bonds6

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

N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-3,5-dimethoxybenzamide (PubChem CID 17220209) has the molecular formula C22H19ClN4O4 and a molecular weight of 438.87 g/mol. Its IUPAC name is N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-3,5-dimethoxybenzamide
PubChem CID17220209
Molecular FormulaC22H19ClN4O4
Molecular Weight438.87 g/mol
Exact Mass438.11
IUPAC NameN-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc3nn(-c4ccc(OC)c(Cl)c4)nc3c2)c1
InChIInChI=1S/C22H19ClN4O4/c1-29-16-8-13(9-17(12-16)30-2)22(28)24-14-4-6-19-20(10-14)26-27(25-19)15-5-7-21(31-3)18(23)11-15/h4-12H,1-3H3,(H,24,28)
InChIKeyZIEYDRUQCVTDKL-UHFFFAOYSA-N
XLogP4.35
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.87
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2,4-dimethoxybenzamide
CID 17027052
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
2,3-dichloro-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 17220198
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]-4-phenylmethoxybenzamide
CID 17220216
2-bromo-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 17220188
N-[2-(3-chlorophenyl)benzotriazol-5-yl]-3-methoxybenzamide
CID 3117312
2-(4-bromophenoxy)-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 17220291
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 17117274
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]methanesulfonamide
CID 1091853
3-bromo-N-[2-(3-chlorophenyl)benzotriazol-5-yl]-4-methoxybenzamide
CID 19577633

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-3,5-dimethoxybenzamide (CID 17220209) is N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccc3nn(-c4ccc(OC)c(Cl)c4)nc3c2)c1.
What is the InChIKey of N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-3,5-dimethoxybenzamide?
The InChIKey is ZIEYDRUQCVTDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O4/c1-29-16-8-13(9-17(12-16)30-2)22(28)24-14-4-6-19-20(10-14)26-27(25-19)15-5-7-21(31-3)18(23)11-15/h4-12H,1-3H3,(H,24,28).
What are the key properties of N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-3,5-dimethoxybenzamide?
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-3,5-dimethoxybenzamide has a molecular weight of 438.87 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 17220209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).