2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[[(2-methoxyacetyl)amino]methyl]benzamide

C24H20Cl2N4O3 — CID 168968066

IUPAC2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[[(2-methoxyacetyl)amino]methyl]benzamide
SMILESCOCC(=O)NCc1ccc(Cl)c(C(=O)Nc2cccc3c2cnn3-c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H20Cl2N4O3/c1-33-14-23(31)27-12-15-5-10-20(26)18(11-15)24(32)29-21-3-2-4-22-19(21)13-28-30(22)17-8-6-16(25)7-9-17/h2-11,13H,12,14H2,1H3,(H,27,31)(H,29,32)
InChIKeyYUSLRCMUWFEUPU-UHFFFAOYSA-N
MW483.36 g/mol
LogP4.85
Rot. Bonds7

About 2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[[(2-methoxyacetyl)amino]methyl]benzamide

2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[[(2-methoxyacetyl)amino]methyl]benzamide (PubChem CID 168968066) has the molecular formula C24H20Cl2N4O3 and a molecular weight of 483.36 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[[(2-methoxyacetyl)amino]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[[(2-methoxyacetyl)amino]methyl]benzamide
PubChem CID168968066
Molecular FormulaC24H20Cl2N4O3
Molecular Weight483.36 g/mol
Exact Mass482.09
IUPAC Name2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[[(2-methoxyacetyl)amino]methyl]benzamide
SMILESCOCC(=O)NCc1ccc(Cl)c(C(=O)Nc2cccc3c2cnn3-c2ccc(Cl)cc2)c1
InChIInChI=1S/C24H20Cl2N4O3/c1-33-14-23(31)27-12-15-5-10-20(26)18(11-15)24(32)29-21-3-2-4-22-19(21)13-28-30(22)17-8-6-16(25)7-9-17/h2-11,13H,12,14H2,1H3,(H,27,31)(H,29,32)
InChIKeyYUSLRCMUWFEUPU-UHFFFAOYSA-N
XLogP4.85
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.36
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-[[(2-methoxyacetyl)amino]methyl]-N-[1-(1,3-thiazol-2-yl)indazol-4-yl]benzamide
CID 168967991
5-[(butanoylamino)methyl]-2-chloro-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide
CID 168968124
2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[(cyclopropylsulfonylamino)methyl]benzamide
CID 168968053
2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-[1-(3-methoxyphenyl)indazol-4-yl]benzamide
CID 168968275
2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-[1-(6-methoxy-3-pyridinyl)indazol-4-yl]benzamide
CID 168968273
2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-[1-(6-methyl-3-pyridinyl)indazol-4-yl]benzamide
CID 168968152
5-[(but-2-ynoylamino)methyl]-2-chloro-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide
CID 168968091
2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-[1-(5-methyl-3-pyridinyl)indazol-4-yl]benzamide
CID 168968324
2-chloro-N-[1-(6-cyano-3-pyridinyl)indazol-4-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide
CID 168968017
tert-butyl N-[[4-chloro-3-[[1-[3-(trifluoromethoxy)phenyl]indazol-4-yl]carbamoyl]phenyl]methyl]carbamate
CID 168967980
2-chloro-5-[(cyclopropylsulfonylamino)methyl]-N-[1-(6-methoxy-3-pyridinyl)indazol-4-yl]benzamide
CID 168968233
2-chloro-N-(1-propan-2-ylindazol-4-yl)-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]benzamide
CID 168967987

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[[(2-methoxyacetyl)amino]methyl]benzamide?
The IUPAC name of 2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[[(2-methoxyacetyl)amino]methyl]benzamide (CID 168968066) is 2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[[(2-methoxyacetyl)amino]methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[[(2-methoxyacetyl)amino]methyl]benzamide?
The canonical SMILES for 2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[[(2-methoxyacetyl)amino]methyl]benzamide is COCC(=O)NCc1ccc(Cl)c(C(=O)Nc2cccc3c2cnn3-c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[[(2-methoxyacetyl)amino]methyl]benzamide?
The InChIKey is YUSLRCMUWFEUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O3/c1-33-14-23(31)27-12-15-5-10-20(26)18(11-15)24(32)29-21-3-2-4-22-19(21)13-28-30(22)17-8-6-16(25)7-9-17/h2-11,13H,12,14H2,1H3,(H,27,31)(H,29,32).
What are the key properties of 2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[[(2-methoxyacetyl)amino]methyl]benzamide?
2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[[(2-methoxyacetyl)amino]methyl]benzamide has a molecular weight of 483.36 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-chlorophenyl)indazol-4-yl]-5-[[(2-methoxyacetyl)amino]methyl]benzamide is sourced from PubChem (CID 168968066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).