4-amino-N-[3-(4-bromoanilino)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide

C23H20BrCl2N5O — CID 10152751

IUPAC4-amino-N-[3-(4-bromoanilino)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide
SMILESNCCC(C(=O)Nc1ccc2[nH]nc(Nc3ccc(Br)cc3)c2c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H20BrCl2N5O/c24-14-2-4-15(5-3-14)28-22-18-12-16(6-8-21(18)30-31-22)29-23(32)17(9-10-27)13-1-7-19(25)20(26)11-13/h1-8,11-12,17H,9-10,27H2,(H,29,32)(H2,28,30,31)
InChIKeyBMENEWUPEYXLMW-UHFFFAOYSA-N
MW533.26 g/mol
LogP6.45
Rot. Bonds7

About 4-amino-N-[3-(4-bromoanilino)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide

4-amino-N-[3-(4-bromoanilino)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide (PubChem CID 10152751) has the molecular formula C23H20BrCl2N5O and a molecular weight of 533.26 g/mol. Its IUPAC name is 4-amino-N-[3-(4-bromoanilino)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide.

Molecular Properties

Compound Name4-amino-N-[3-(4-bromoanilino)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide
PubChem CID10152751
Molecular FormulaC23H20BrCl2N5O
Molecular Weight533.26 g/mol
Exact Mass531.02
IUPAC Name4-amino-N-[3-(4-bromoanilino)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide
SMILESNCCC(C(=O)Nc1ccc2[nH]nc(Nc3ccc(Br)cc3)c2c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H20BrCl2N5O/c24-14-2-4-15(5-3-14)28-22-18-12-16(6-8-21(18)30-31-22)29-23(32)17(9-10-27)13-1-7-19(25)20(26)11-13/h1-8,11-12,17H,9-10,27H2,(H,29,32)(H2,28,30,31)
InChIKeyBMENEWUPEYXLMW-UHFFFAOYSA-N
XLogP6.45
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.26
LogP ≤ 56.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-(3,4-dichlorophenyl)-N-[3-(3-phenylanilino)-1H-indazol-5-yl]butanamide
CID 23570856
4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethyl)anilino]-1H-indazol-5-yl]butanamide
CID 23570859
4-amino-2-(3,4-dichlorophenyl)-N-[3-(phenylcarbamoylamino)-1H-indazol-5-yl]butanamide
CID 10239139
N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,2-oxazole-3-carboxamide
CID 23571026
N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1-methylpyrrole-2-carboxamide
CID 23571019
4-amino-2-(3,4-dimethylphenyl)-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]butanamide
CID 142270961
4-amino-N-[4-amino-3-(N'-benzylcarbamimidoyl)phenyl]-2-(3,4-dichlorophenyl)butanamide
CID 142270772
4-amino-N-[4-amino-3-[amino-(3-chloroanilino)methyl]phenyl]-2-(3,4-dichlorophenyl)butanamide
CID 142270984
N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-N-methylthiophene-2-carboxamide
CID 23571029
5-amino-3-(3,4-dichlorophenyl)pentan-2-one
CID 142270867
(4R)-6-amino-4-(3,4-dichlorophenyl)-2-methylhexan-3-one
CID 155260604
N-[2-amino-5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]benzenecarboximidoyl]-3-(trifluoromethyl)benzamide
CID 171926033

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(4-bromoanilino)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide?
The IUPAC name of 4-amino-N-[3-(4-bromoanilino)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide (CID 10152751) is 4-amino-N-[3-(4-bromoanilino)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide.
What is the SMILES notation for 4-amino-N-[3-(4-bromoanilino)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide?
The canonical SMILES for 4-amino-N-[3-(4-bromoanilino)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide is NCCC(C(=O)Nc1ccc2[nH]nc(Nc3ccc(Br)cc3)c2c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-amino-N-[3-(4-bromoanilino)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide?
The InChIKey is BMENEWUPEYXLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrCl2N5O/c24-14-2-4-15(5-3-14)28-22-18-12-16(6-8-21(18)30-31-22)29-23(32)17(9-10-27)13-1-7-19(25)20(26)11-13/h1-8,11-12,17H,9-10,27H2,(H,29,32)(H2,28,30,31).
What are the key properties of 4-amino-N-[3-(4-bromoanilino)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide?
4-amino-N-[3-(4-bromoanilino)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide has a molecular weight of 533.26 g/mol, XLogP of 6.45, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(4-bromoanilino)-1H-indazol-5-yl]-2-(3,4-dichlorophenyl)butanamide is sourced from PubChem (CID 10152751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).