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

C23H21FN4O2 — CID 146209142

IUPACN-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)benzamide
SMILESCOc1cccc([C@H](CN)NC(=O)c2cccc(-c3ccc4n[nH]c(F)c4c3)c2)c1
InChIInChI=1S/C23H21FN4O2/c1-30-18-7-3-5-16(11-18)21(13-25)26-23(29)17-6-2-4-14(10-17)15-8-9-20-19(12-15)22(24)28-27-20/h2-12,21H,13,25H2,1H3,(H,26,29)(H,27,28)/t21-/m0/s1
InChIKeySBMZASWPEBFVCG-NRFANRHFSA-N
MW404.45 g/mol
LogP3.81
Rot. Bonds6

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

N-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)benzamide (PubChem CID 146209142) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is N-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)benzamide
PubChem CID146209142
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC NameN-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)benzamide
SMILESCOc1cccc([C@H](CN)NC(=O)c2cccc(-c3ccc4n[nH]c(F)c4c3)c2)c1
InChIInChI=1S/C23H21FN4O2/c1-30-18-7-3-5-16(11-18)21(13-25)26-23(29)17-6-2-4-14(10-17)15-8-9-20-19(12-15)22(24)28-27-20/h2-12,21H,13,25H2,1H3,(H,26,29)(H,27,28)/t21-/m0/s1
InChIKeySBMZASWPEBFVCG-NRFANRHFSA-N
XLogP3.81
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide
CID 146209069
3-(3-amino-1H-isoindol-5-yl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide
CID 163802313
3-(4-amino-3-methanimidoylphenyl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide
CID 146209145
3-ethyl-N-[1-(3-methoxyphenyl)propyl]-2H-indazole-5-carboxamide
CID 123846554
N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-chlorobenzamide
CID 166366125
N-[1-(3-methoxyphenyl)-2-(methylamino)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide
CID 146209021
N-[2-(dimethylamino)-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide
CID 146208984
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-methylphenyl)ethyl]-3-(7-methoxy-1H-isoindol-5-yl)benzamide
CID 163680039
2-(4-fluorophenyl)-5-[3-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
CID 59275153
N-(2-amino-1-phenylethyl)-4-fluoro-3-methoxybenzamide
CID 81289414
N-[3-(1,3-benzothiazol-2-ylamino)-1-(3-methoxyphenyl)-3-oxopropyl]benzamide
CID 4289742

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)benzamide?
The IUPAC name of N-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)benzamide (CID 146209142) is N-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)benzamide.
What is the SMILES notation for N-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)benzamide?
The canonical SMILES for N-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)benzamide is COc1cccc([C@H](CN)NC(=O)c2cccc(-c3ccc4n[nH]c(F)c4c3)c2)c1.
What is the InChIKey of N-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)benzamide?
The InChIKey is SBMZASWPEBFVCG-NRFANRHFSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-30-18-7-3-5-16(11-18)21(13-25)26-23(29)17-6-2-4-14(10-17)15-8-9-20-19(12-15)22(24)28-27-20/h2-12,21H,13,25H2,1H3,(H,26,29)(H,27,28)/t21-/m0/s1.
What are the key properties of N-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)benzamide?
N-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)benzamide has a molecular weight of 404.45 g/mol, XLogP of 3.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)benzamide is sourced from PubChem (CID 146209142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).