3-[(2S)-butan-2-yl]oxy-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide

C24H23ClN4O3 — CID 29093949

IUPAC3-[(2S)-butan-2-yl]oxy-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
SMILESCC[C@H](C)Oc1cccc(C(=O)Nc2ccc3nn(-c4ccc(OC)c(Cl)c4)nc3c2)c1
InChIInChI=1S/C24H23ClN4O3/c1-4-15(2)32-19-7-5-6-16(12-19)24(30)26-17-8-10-21-22(13-17)28-29(27-21)18-9-11-23(31-3)20(25)14-18/h5-15H,4H2,1-3H3,(H,26,30)/t15-/m0/s1
InChIKeyKHASOLOVMAMBQD-HNNXBMFYSA-N
MW450.93 g/mol
LogP5.51
Rot. Bonds7

About 3-[(2S)-butan-2-yl]oxy-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide

3-[(2S)-butan-2-yl]oxy-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide (PubChem CID 29093949) has the molecular formula C24H23ClN4O3 and a molecular weight of 450.93 g/mol. Its IUPAC name is 3-[(2S)-butan-2-yl]oxy-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide.

Molecular Properties

Compound Name3-[(2S)-butan-2-yl]oxy-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
PubChem CID29093949
Molecular FormulaC24H23ClN4O3
Molecular Weight450.93 g/mol
Exact Mass450.15
IUPAC Name3-[(2S)-butan-2-yl]oxy-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
SMILESCC[C@H](C)Oc1cccc(C(=O)Nc2ccc3nn(-c4ccc(OC)c(Cl)c4)nc3c2)c1
InChIInChI=1S/C24H23ClN4O3/c1-4-15(2)32-19-7-5-6-16(12-19)24(30)26-17-8-10-21-22(13-17)28-29(27-21)18-9-11-23(31-3)20(25)14-18/h5-15H,4H2,1-3H3,(H,26,30)/t15-/m0/s1
InChIKeyKHASOLOVMAMBQD-HNNXBMFYSA-N
XLogP5.51
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.93
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(2S)-butan-2-yl]oxy-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2S)-butan-2-yl]oxy-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 29093951
4-butan-2-yloxy-N-[[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide
CID 3645366
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-3,5-dimethoxybenzamide
CID 17220209
3-butan-2-yloxy-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]benzamide
CID 17219936
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]pyridine-3-carboxamide
CID 21229425
2,3-dichloro-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 17220198
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-4-phenylmethoxybenzamide
CID 17220216
N-[2-(3-chlorophenyl)benzotriazol-5-yl]-3-methoxybenzamide
CID 3117312
4-[(2R)-butan-2-yl]oxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 29093821
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-2,4-dimethoxybenzamide
CID 17027052
4-butan-2-yloxy-N-(3-chloro-4-methoxyphenyl)benzamide
CID 17141302
4-[(2S)-butan-2-yl]oxy-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide
CID 29093869

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-butan-2-yl]oxy-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide?
The IUPAC name of 3-[(2S)-butan-2-yl]oxy-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide (CID 29093949) is 3-[(2S)-butan-2-yl]oxy-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide.
What is the SMILES notation for 3-[(2S)-butan-2-yl]oxy-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide?
The canonical SMILES for 3-[(2S)-butan-2-yl]oxy-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide is CC[C@H](C)Oc1cccc(C(=O)Nc2ccc3nn(-c4ccc(OC)c(Cl)c4)nc3c2)c1.
What is the InChIKey of 3-[(2S)-butan-2-yl]oxy-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide?
The InChIKey is KHASOLOVMAMBQD-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H23ClN4O3/c1-4-15(2)32-19-7-5-6-16(12-19)24(30)26-17-8-10-21-22(13-17)28-29(27-21)18-9-11-23(31-3)20(25)14-18/h5-15H,4H2,1-3H3,(H,26,30)/t15-/m0/s1.
What are the key properties of 3-[(2S)-butan-2-yl]oxy-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide?
3-[(2S)-butan-2-yl]oxy-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide has a molecular weight of 450.93 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-butan-2-yl]oxy-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide is sourced from PubChem (CID 29093949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).