5-chloro-2-methoxy-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzamide

C18H17ClN4O2 — CID 121176252

IUPAC5-chloro-2-methoxy-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC(Cn1nccn1)c1ccccc1
InChIInChI=1S/C18H17ClN4O2/c1-25-17-8-7-14(19)11-15(17)18(24)22-16(12-23-20-9-10-21-23)13-5-3-2-4-6-13/h2-11,16H,12H2,1H3,(H,22,24)
InChIKeyFGHHWQDAIATWPQ-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.11
Rot. Bonds6

About 5-chloro-2-methoxy-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzamide

5-chloro-2-methoxy-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzamide (PubChem CID 121176252) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzamide
PubChem CID121176252
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name5-chloro-2-methoxy-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC(Cn1nccn1)c1ccccc1
InChIInChI=1S/C18H17ClN4O2/c1-25-17-8-7-14(19)11-15(17)18(24)22-16(12-23-20-9-10-21-23)13-5-3-2-4-6-13/h2-11,16H,12H2,1H3,(H,22,24)
InChIKeyFGHHWQDAIATWPQ-UHFFFAOYSA-N
XLogP3.11
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-methoxy-N-[1-phenyl-2-(triazol-2-yl)ethyl]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

5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide
CID 63184777
5-chloro-2-methoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
CID 93157403
1-(2-methoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea
CID 121176489
N-[1-phenyl-2-(triazol-2-yl)ethyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 121176307
5-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethyl]-2-methoxybenzamide
CID 56728485
1-(2,3-dimethoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea
CID 121176493
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxybenzamide
CID 39370043
1-methyl-6-oxo-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-4-thiophen-2-ylpyridine-3-carboxamide
CID 124760245
N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide
CID 848311
N-(2-chloro-1-phenylethyl)-2-methoxybenzamide
CID 114300240
5-chloro-2-methoxy-N-(1-oxo-3-phenylpropan-2-yl)benzamide
CID 153385786
5-chloro-2-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 35276397

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzamide (CID 121176252) is 5-chloro-2-methoxy-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzamide is COc1ccc(Cl)cc1C(=O)NC(Cn1nccn1)c1ccccc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzamide?
The InChIKey is FGHHWQDAIATWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-25-17-8-7-14(19)11-15(17)18(24)22-16(12-23-20-9-10-21-23)13-5-3-2-4-6-13/h2-11,16H,12H2,1H3,(H,22,24).
What are the key properties of 5-chloro-2-methoxy-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzamide?
5-chloro-2-methoxy-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzamide has a molecular weight of 356.81 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 121176252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).