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

C24H20Cl2F3N5O — CID 23570859

IUPAC4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethyl)anilino]-1H-indazol-5-yl]butanamide
SMILESNCCC(C(=O)Nc1ccc2[nH]nc(Nc3cccc(C(F)(F)F)c3)c2c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H20Cl2F3N5O/c25-19-6-4-13(10-20(19)26)17(8-9-30)23(35)32-16-5-7-21-18(12-16)22(34-33-21)31-15-3-1-2-14(11-15)24(27,28)29/h1-7,10-12,17H,8-9,30H2,(H,32,35)(H2,31,33,34)
InChIKeyCUBFDNPXPLABDY-UHFFFAOYSA-N
MW522.36 g/mol
LogP6.70
Rot. Bonds7

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

4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethyl)anilino]-1H-indazol-5-yl]butanamide (PubChem CID 23570859) has the molecular formula C24H20Cl2F3N5O and a molecular weight of 522.36 g/mol. Its IUPAC name is 4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethyl)anilino]-1H-indazol-5-yl]butanamide.

Molecular Properties

Compound Name4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethyl)anilino]-1H-indazol-5-yl]butanamide
PubChem CID23570859
Molecular FormulaC24H20Cl2F3N5O
Molecular Weight522.36 g/mol
Exact Mass521.10
IUPAC Name4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethyl)anilino]-1H-indazol-5-yl]butanamide
SMILESNCCC(C(=O)Nc1ccc2[nH]nc(Nc3cccc(C(F)(F)F)c3)c2c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H20Cl2F3N5O/c25-19-6-4-13(10-20(19)26)17(8-9-30)23(35)32-16-5-7-21-18(12-16)22(34-33-21)31-15-3-1-2-14(11-15)24(27,28)29/h1-7,10-12,17H,8-9,30H2,(H,32,35)(H2,31,33,34)
InChIKeyCUBFDNPXPLABDY-UHFFFAOYSA-N
XLogP6.70
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.36
LogP ≤ 56.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-amino-5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]benzenecarboximidoyl]-3-(trifluoromethyl)benzamide
CID 171926033
N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]-1,2-oxazole-3-carboxamide
CID 23571026
N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7922707
1-[4-[(4-oxo-3H-phthalazin-1-yl)amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 162514679
1-[1-[(4-chloro-3-fluorophenyl)methyl]-4-oxo-3H-phthalazin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 10117293
5-amino-2-chloro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28543225
2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide
CID 71192936
5-amino-3-(3,4-dichlorophenyl)pentan-2-one
CID 142270867
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 4173499
2-chloro-2-(3-fluorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 67929903
1-[4-(cyclobutylamino)-2-(3,4-dichlorophenyl)butyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 23567529
6-[bis(4-chlorophenyl)methyl]-4-[3-(trifluoromethyl)anilino]-1H-quinolin-2-one
CID 118329978

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethyl)anilino]-1H-indazol-5-yl]butanamide?
The IUPAC name of 4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethyl)anilino]-1H-indazol-5-yl]butanamide (CID 23570859) is 4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethyl)anilino]-1H-indazol-5-yl]butanamide.
What is the SMILES notation for 4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethyl)anilino]-1H-indazol-5-yl]butanamide?
The canonical SMILES for 4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethyl)anilino]-1H-indazol-5-yl]butanamide is NCCC(C(=O)Nc1ccc2[nH]nc(Nc3cccc(C(F)(F)F)c3)c2c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethyl)anilino]-1H-indazol-5-yl]butanamide?
The InChIKey is CUBFDNPXPLABDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2F3N5O/c25-19-6-4-13(10-20(19)26)17(8-9-30)23(35)32-16-5-7-21-18(12-16)22(34-33-21)31-15-3-1-2-14(11-15)24(27,28)29/h1-7,10-12,17H,8-9,30H2,(H,32,35)(H2,31,33,34).
What are the key properties of 4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethyl)anilino]-1H-indazol-5-yl]butanamide?
4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethyl)anilino]-1H-indazol-5-yl]butanamide has a molecular weight of 522.36 g/mol, XLogP of 6.70, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3,4-dichlorophenyl)-N-[3-[3-(trifluoromethyl)anilino]-1H-indazol-5-yl]butanamide is sourced from PubChem (CID 23570859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).