N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide

C25H24F2N4O3 — CID 146209069

IUPACN-[2-amino-1-(3-methoxyphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide
SMILESCOc1cccc(C(CN)NC(=O)c2cc(-c3ccc4n[nH]c(C)c4c3)ccc2OC(F)F)c1
InChIInChI=1S/C25H24F2N4O3/c1-14-19-11-15(6-8-21(19)31-30-14)16-7-9-23(34-25(26)27)20(12-16)24(32)29-22(13-28)17-4-3-5-18(10-17)33-2/h3-12,22,25H,13,28H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyLRGRNIANIHKGHI-UHFFFAOYSA-N
MW466.49 g/mol
LogP4.58
Rot. Bonds8

About N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide

N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide (PubChem CID 146209069) has the molecular formula C25H24F2N4O3 and a molecular weight of 466.49 g/mol. Its IUPAC name is N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-amino-1-(3-methoxyphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide
PubChem CID146209069
Molecular FormulaC25H24F2N4O3
Molecular Weight466.49 g/mol
Exact Mass466.18
IUPAC NameN-[2-amino-1-(3-methoxyphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide
SMILESCOc1cccc(C(CN)NC(=O)c2cc(-c3ccc4n[nH]c(C)c4c3)ccc2OC(F)F)c1
InChIInChI=1S/C25H24F2N4O3/c1-14-19-11-15(6-8-21(19)31-30-14)16-7-9-23(34-25(26)27)20(12-16)24(32)29-22(13-28)17-4-3-5-18(10-17)33-2/h3-12,22,25H,13,28H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyLRGRNIANIHKGHI-UHFFFAOYSA-N
XLogP4.58
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)benzamide
CID 146209142
N-[1-(3-methoxyphenyl)-2-(methylamino)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide
CID 146209021
N-[2-amino-1-(3-methylphenyl)ethyl]-6-(3-methyl-2H-indazol-5-yl)-2,3-dihydro-1H-isoindole-4-carboxamide
CID 163805680
N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide
CID 163427499
4-amino-2-(3-methoxyphenyl)-N-(3-methyl-2H-indazol-5-yl)butanamide
CID 23570880
N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-chlorobenzamide
CID 166366125
N-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-1H-isoindol-5-yl)benzamide
CID 163869699
3-ethyl-N-[1-(3-methoxyphenyl)propyl]-2H-indazole-5-carboxamide
CID 123846554
3-(4-amino-3-methanimidoylphenyl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide
CID 146209145
N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(3-methyl-2H-indazol-5-yl)cyclopropane-1-carboxamide
CID 66685314
3-(3-amino-1H-isoindol-5-yl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide
CID 163802313
N-[2-(dimethylamino)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide
CID 146208984

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide?
The IUPAC name of N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide (CID 146209069) is N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide.
What is the SMILES notation for N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide?
The canonical SMILES for N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide is COc1cccc(C(CN)NC(=O)c2cc(-c3ccc4n[nH]c(C)c4c3)ccc2OC(F)F)c1.
What is the InChIKey of N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide?
The InChIKey is LRGRNIANIHKGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O3/c1-14-19-11-15(6-8-21(19)31-30-14)16-7-9-23(34-25(26)27)20(12-16)24(32)29-22(13-28)17-4-3-5-18(10-17)33-2/h3-12,22,25H,13,28H2,1-2H3,(H,29,32)(H,30,31).
What are the key properties of N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide?
N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide has a molecular weight of 466.49 g/mol, XLogP of 4.58, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide is sourced from PubChem (CID 146209069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).