2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide

C27H28ClN3O4 — CID 20877468

IUPAC2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)C(C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)c(OC)c1OC
InChIInChI=1S/C27H28ClN3O4/c1-17(27(32)29-15-14-19-10-13-23(33-2)26(35-4)25(19)34-3)31-22-12-11-20(28)16-21(22)24(30-31)18-8-6-5-7-9-18/h5-13,16-17H,14-15H2,1-4H3,(H,29,32)
InChIKeyWWPNAWQVPDMOHZ-UHFFFAOYSA-N
MW493.99 g/mol
LogP5.30
Rot. Bonds9

About 2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide

2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide (PubChem CID 20877468) has the molecular formula C27H28ClN3O4 and a molecular weight of 493.99 g/mol. Its IUPAC name is 2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide
PubChem CID20877468
Molecular FormulaC27H28ClN3O4
Molecular Weight493.99 g/mol
Exact Mass493.18
IUPAC Name2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)C(C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)c(OC)c1OC
InChIInChI=1S/C27H28ClN3O4/c1-17(27(32)29-15-14-19-10-13-23(33-2)26(35-4)25(19)34-3)31-22-12-11-20(28)16-21(22)24(30-31)18-8-6-5-7-9-18/h5-13,16-17H,14-15H2,1-4H3,(H,29,32)
InChIKeyWWPNAWQVPDMOHZ-UHFFFAOYSA-N
XLogP5.30
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.99
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 20877446
(2S)-2-(5-chloro-3-phenylindazol-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 129422166
2-(3-phenylindazol-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 20877636
(2S)-2-amino-3-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide
CID 119303471
2-(5-chloro-3-phenylindazol-1-yl)-N-(3-methylbutyl)acetamide
CID 20877329
1-[2-(2-chlorophenyl)ethyl]-2-methyl-3-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111882700
2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide
CID 20863744
2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide
CID 20877332
N-butan-2-yl-2-(5-chloro-3-phenylindazol-1-yl)acetamide
CID 6620038
1-[(3-chlorophenyl)methyl]-2-methyl-3-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine
CID 111176882
N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 46978356
2-(5-chloro-2-methoxyphenyl)ethylcarbamic acid
CID 115171089

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide (CID 20877468) is 2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)C(C)n2nc(-c3ccccc3)c3cc(Cl)ccc32)c(OC)c1OC.
What is the InChIKey of 2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide?
The InChIKey is WWPNAWQVPDMOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O4/c1-17(27(32)29-15-14-19-10-13-23(33-2)26(35-4)25(19)34-3)31-22-12-11-20(28)16-21(22)24(30-31)18-8-6-5-7-9-18/h5-13,16-17H,14-15H2,1-4H3,(H,29,32).
What are the key properties of 2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide?
2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide has a molecular weight of 493.99 g/mol, XLogP of 5.30, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 20877468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).