N-[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide

C17H17ClN4O2 — CID 784272

IUPACN-[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide
SMILESCCC(=O)Nc1cc2nn(-c3ccc(OC)c(Cl)c3)nc2cc1C
InChIInChI=1S/C17H17ClN4O2/c1-4-17(23)19-13-9-15-14(7-10(13)2)20-22(21-15)11-5-6-16(24-3)12(18)8-11/h5-9H,4H2,1-3H3,(H,19,23)
InChIKeyNFLABAADGSIFMI-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.74
Rot. Bonds4

About N-[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide

N-[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide (PubChem CID 784272) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide
PubChem CID784272
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC NameN-[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide
SMILESCCC(=O)Nc1cc2nn(-c3ccc(OC)c(Cl)c3)nc2cc1C
InChIInChI=1S/C17H17ClN4O2/c1-4-17(23)19-13-9-15-14(7-10(13)2)20-22(21-15)11-5-6-16(24-3)12(18)8-11/h5-9H,4H2,1-3H3,(H,19,23)
InChIKeyNFLABAADGSIFMI-UHFFFAOYSA-N
XLogP3.74
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide?
The IUPAC name of N-[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide (CID 784272) is N-[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide.
What is the SMILES notation for N-[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide?
The canonical SMILES for N-[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide is CCC(=O)Nc1cc2nn(-c3ccc(OC)c(Cl)c3)nc2cc1C.
What is the InChIKey of N-[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide?
The InChIKey is NFLABAADGSIFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-4-17(23)19-13-9-15-14(7-10(13)2)20-22(21-15)11-5-6-16(24-3)12(18)8-11/h5-9H,4H2,1-3H3,(H,19,23).
What are the key properties of N-[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide?
N-[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide has a molecular weight of 344.80 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide is sourced from PubChem (CID 784272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).