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

C20H13Cl3N4O2 — CID 17220198

IUPAC2,3-dichloro-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)c4cccc(Cl)c4Cl)cc3n2)cc1Cl
InChIInChI=1S/C20H13Cl3N4O2/c1-29-18-8-6-12(10-15(18)22)27-25-16-7-5-11(9-17(16)26-27)24-20(28)13-3-2-4-14(21)19(13)23/h2-10H,1H3,(H,24,28)
InChIKeyVCXMCNONMIOSIL-UHFFFAOYSA-N
MW447.71 g/mol
LogP5.64
Rot. Bonds4

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

2,3-dichloro-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide (PubChem CID 17220198) has the molecular formula C20H13Cl3N4O2 and a molecular weight of 447.71 g/mol. Its IUPAC name is 2,3-dichloro-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
PubChem CID17220198
Molecular FormulaC20H13Cl3N4O2
Molecular Weight447.71 g/mol
Exact Mass446.01
IUPAC Name2,3-dichloro-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)c4cccc(Cl)c4Cl)cc3n2)cc1Cl
InChIInChI=1S/C20H13Cl3N4O2/c1-29-18-8-6-12(10-15(18)22)27-25-16-7-5-11(9-17(16)26-27)24-20(28)13-3-2-4-14(21)19(13)23/h2-10H,1H3,(H,24,28)
InChIKeyVCXMCNONMIOSIL-UHFFFAOYSA-N
XLogP5.64
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.71
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 17220188
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2,4-dimethoxybenzamide
CID 17027052
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
N-[[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-2-iodobenzamide
CID 1016818
3-[(2S)-butan-2-yl]oxy-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 29093949
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
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2-(2-fluorophenoxy)acetamide
CID 17220308
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]methanesulfonamide
CID 1091853
N-[2-[4-(dimethylamino)phenyl]benzotriazol-5-yl]-2-methoxybenzamide
CID 1216166
2-(4-bromophenoxy)-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 17220291

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide (CID 17220198) is 2,3-dichloro-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide is COc1ccc(-n2nc3ccc(NC(=O)c4cccc(Cl)c4Cl)cc3n2)cc1Cl.
What is the InChIKey of 2,3-dichloro-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide?
The InChIKey is VCXMCNONMIOSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl3N4O2/c1-29-18-8-6-12(10-15(18)22)27-25-16-7-5-11(9-17(16)26-27)24-20(28)13-3-2-4-14(21)19(13)23/h2-10H,1H3,(H,24,28).
What are the key properties of 2,3-dichloro-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide?
2,3-dichloro-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide has a molecular weight of 447.71 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide is sourced from PubChem (CID 17220198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).