N-(4-chloro-3-methoxyphenyl)-2-(4,5-dihydrobenzo[g]indazol-1-yl)acetamide

C20H18ClN3O2 — CID 118724368

IUPACN-(4-chloro-3-methoxyphenyl)-2-(4,5-dihydrobenzo[g]indazol-1-yl)acetamide
SMILESCOc1cc(NC(=O)Cn2ncc3c2-c2ccccc2CC3)ccc1Cl
InChIInChI=1S/C20H18ClN3O2/c1-26-18-10-15(8-9-17(18)21)23-19(25)12-24-20-14(11-22-24)7-6-13-4-2-3-5-16(13)20/h2-5,8-11H,6-7,12H2,1H3,(H,23,25)
InChIKeyPNURBZBVWMHGHT-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.95
Rot. Bonds4

About N-(4-chloro-3-methoxyphenyl)-2-(4,5-dihydrobenzo[g]indazol-1-yl)acetamide

N-(4-chloro-3-methoxyphenyl)-2-(4,5-dihydrobenzo[g]indazol-1-yl)acetamide (PubChem CID 118724368) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is N-(4-chloro-3-methoxyphenyl)-2-(4,5-dihydrobenzo[g]indazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-methoxyphenyl)-2-(4,5-dihydrobenzo[g]indazol-1-yl)acetamide
PubChem CID118724368
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC NameN-(4-chloro-3-methoxyphenyl)-2-(4,5-dihydrobenzo[g]indazol-1-yl)acetamide
SMILESCOc1cc(NC(=O)Cn2ncc3c2-c2ccccc2CC3)ccc1Cl
InChIInChI=1S/C20H18ClN3O2/c1-26-18-10-15(8-9-17(18)21)23-19(25)12-24-20-14(11-22-24)7-6-13-4-2-3-5-16(13)20/h2-5,8-11H,6-7,12H2,1H3,(H,23,25)
InChIKeyPNURBZBVWMHGHT-UHFFFAOYSA-N
XLogP3.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methoxyphenyl)-2-(4,5-dihydrobenzo[g]indazol-1-yl)acetamide?
The IUPAC name of N-(4-chloro-3-methoxyphenyl)-2-(4,5-dihydrobenzo[g]indazol-1-yl)acetamide (CID 118724368) is N-(4-chloro-3-methoxyphenyl)-2-(4,5-dihydrobenzo[g]indazol-1-yl)acetamide.
What is the SMILES notation for N-(4-chloro-3-methoxyphenyl)-2-(4,5-dihydrobenzo[g]indazol-1-yl)acetamide?
The canonical SMILES for N-(4-chloro-3-methoxyphenyl)-2-(4,5-dihydrobenzo[g]indazol-1-yl)acetamide is COc1cc(NC(=O)Cn2ncc3c2-c2ccccc2CC3)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methoxyphenyl)-2-(4,5-dihydrobenzo[g]indazol-1-yl)acetamide?
The InChIKey is PNURBZBVWMHGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-26-18-10-15(8-9-17(18)21)23-19(25)12-24-20-14(11-22-24)7-6-13-4-2-3-5-16(13)20/h2-5,8-11H,6-7,12H2,1H3,(H,23,25).
What are the key properties of N-(4-chloro-3-methoxyphenyl)-2-(4,5-dihydrobenzo[g]indazol-1-yl)acetamide?
N-(4-chloro-3-methoxyphenyl)-2-(4,5-dihydrobenzo[g]indazol-1-yl)acetamide has a molecular weight of 367.84 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methoxyphenyl)-2-(4,5-dihydrobenzo[g]indazol-1-yl)acetamide is sourced from PubChem (CID 118724368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).