N-[(2S)-4-(4-bromophenyl)butan-2-yl]-1H-indazole-3-carboxamide

C18H18BrN3O — CID 52734946

IUPACN-[(2S)-4-(4-bromophenyl)butan-2-yl]-1H-indazole-3-carboxamide
SMILESC[C@@H](CCc1ccc(Br)cc1)NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C18H18BrN3O/c1-12(6-7-13-8-10-14(19)11-9-13)20-18(23)17-15-4-2-3-5-16(15)21-22-17/h2-5,8-12H,6-7H2,1H3,(H,20,23)(H,21,22)/t12-/m0/s1
InChIKeySNVMRKOJSFXFLG-LBPRGKRZSA-N
MW372.27 g/mol
LogP4.08
Rot. Bonds5

About N-[(2S)-4-(4-bromophenyl)butan-2-yl]-1H-indazole-3-carboxamide

N-[(2S)-4-(4-bromophenyl)butan-2-yl]-1H-indazole-3-carboxamide (PubChem CID 52734946) has the molecular formula C18H18BrN3O and a molecular weight of 372.27 g/mol. Its IUPAC name is N-[(2S)-4-(4-bromophenyl)butan-2-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-(4-bromophenyl)butan-2-yl]-1H-indazole-3-carboxamide
PubChem CID52734946
Molecular FormulaC18H18BrN3O
Molecular Weight372.27 g/mol
Exact Mass371.06
IUPAC NameN-[(2S)-4-(4-bromophenyl)butan-2-yl]-1H-indazole-3-carboxamide
SMILESC[C@@H](CCc1ccc(Br)cc1)NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C18H18BrN3O/c1-12(6-7-13-8-10-14(19)11-9-13)20-18(23)17-15-4-2-3-5-16(15)21-22-17/h2-5,8-12H,6-7H2,1H3,(H,20,23)(H,21,22)/t12-/m0/s1
InChIKeySNVMRKOJSFXFLG-LBPRGKRZSA-N
XLogP4.08
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methoxypropan-2-yl)-1H-indazole-3-carboxamide
CID 18161172
4-bromo-N-(4-phenylbutan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56560954
N-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858711
N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide
CID 63851037
N-[(2S)-4-methyl-4-phenylpentan-2-yl]-1H-indazole-3-carboxamide
CID 52768115
N-[(2S)-1-aminopropan-2-yl]-5-bromo-1H-indazole-3-carboxamide
CID 120504693
N-[1-[2-(ethylamino)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 119509484
N-(1-ethoxyethyl)-1H-indazole-3-carboxamide
CID 57149113
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1H-indazole-3-carboxamide
CID 52777916
N-[1-[(3-bromo-4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 86887344
N-[(4-bromophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 43003333

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-(4-bromophenyl)butan-2-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[(2S)-4-(4-bromophenyl)butan-2-yl]-1H-indazole-3-carboxamide (CID 52734946) is N-[(2S)-4-(4-bromophenyl)butan-2-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-4-(4-bromophenyl)butan-2-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(2S)-4-(4-bromophenyl)butan-2-yl]-1H-indazole-3-carboxamide is C[C@@H](CCc1ccc(Br)cc1)NC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-[(2S)-4-(4-bromophenyl)butan-2-yl]-1H-indazole-3-carboxamide?
The InChIKey is SNVMRKOJSFXFLG-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H18BrN3O/c1-12(6-7-13-8-10-14(19)11-9-13)20-18(23)17-15-4-2-3-5-16(15)21-22-17/h2-5,8-12H,6-7H2,1H3,(H,20,23)(H,21,22)/t12-/m0/s1.
What are the key properties of N-[(2S)-4-(4-bromophenyl)butan-2-yl]-1H-indazole-3-carboxamide?
N-[(2S)-4-(4-bromophenyl)butan-2-yl]-1H-indazole-3-carboxamide has a molecular weight of 372.27 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-(4-bromophenyl)butan-2-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 52734946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).