2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide

C24H28ClN3O3 — CID 134809753

IUPAC2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide
SMILESCC(C)(Oc1nn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)NCC1CCOCC1
InChIInChI=1S/C24H28ClN3O3/c1-24(2,23(29)26-15-17-10-12-30-13-11-17)31-22-20-8-3-4-9-21(20)28(27-22)16-18-6-5-7-19(25)14-18/h3-9,14,17H,10-13,15-16H2,1-2H3,(H,26,29)
InChIKeyBNIQKOVPFVYHNY-UHFFFAOYSA-N
MW441.96 g/mol
LogP4.44
Rot. Bonds7

About 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide

2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide (PubChem CID 134809753) has the molecular formula C24H28ClN3O3 and a molecular weight of 441.96 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide
PubChem CID134809753
Molecular FormulaC24H28ClN3O3
Molecular Weight441.96 g/mol
Exact Mass441.18
IUPAC Name2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide
SMILESCC(C)(Oc1nn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)NCC1CCOCC1
InChIInChI=1S/C24H28ClN3O3/c1-24(2,23(29)26-15-17-10-12-30-13-11-17)31-22-20-8-3-4-9-21(20)28(27-22)16-18-6-5-7-19(25)14-18/h3-9,14,17H,10-13,15-16H2,1-2H3,(H,26,29)
InChIKeyBNIQKOVPFVYHNY-UHFFFAOYSA-N
XLogP4.44
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxyacetic acid
CID 23173494
tert-butyl N-[[(3R)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]methyl]carbamate
CID 97174396
(2-methyl-1-morpholin-4-ylpropan-2-yl) 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate
CID 11576262
methyl 1-[(3-chlorophenyl)methyl]-3-naphthalen-1-ylsulfonylindazole-5-carboxylate
CID 58812066
2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide
CID 134810053
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxypropanedioic acid
CID 46885023
5-[(3-chlorophenyl)methyl]-N-(cyclopropylmethyl)-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,7,9,11-tetraene-4-carboxamide
CID 131967027
1-(oxan-4-ylmethyl)indazole-3-carboxylic acid
CID 55178208
2-(3-chlorophenyl)-1-(oxan-4-yl)ethanone
CID 62906043
1-[(3-chlorophenyl)methyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea
CID 125136345
2,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736396
3,3-dimethyl-2-[[1-(oxan-4-ylmethyl)indazole-3-carbonyl]amino]butanoic acid
CID 70969926

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide?
The IUPAC name of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide (CID 134809753) is 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide.
What is the SMILES notation for 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide?
The canonical SMILES for 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide is CC(C)(Oc1nn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)NCC1CCOCC1.
What is the InChIKey of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide?
The InChIKey is BNIQKOVPFVYHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O3/c1-24(2,23(29)26-15-17-10-12-30-13-11-17)31-22-20-8-3-4-9-21(20)28(27-22)16-18-6-5-7-19(25)14-18/h3-9,14,17H,10-13,15-16H2,1-2H3,(H,26,29).
What are the key properties of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide?
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide has a molecular weight of 441.96 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide is sourced from PubChem (CID 134809753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).