2-chloro-5-[(cyclobutanecarbonylamino)methyl]-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide

C27H22ClF3N4O2 — CID 168967957

IUPAC2-chloro-5-[(cyclobutanecarbonylamino)methyl]-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide
SMILESO=C(Nc1cccc2c1cnn2-c1ccc(C(F)(F)F)cc1)c1cc(CNC(=O)C2CCC2)ccc1Cl
InChIInChI=1S/C27H22ClF3N4O2/c28-22-12-7-16(14-32-25(36)17-3-1-4-17)13-20(22)26(37)34-23-5-2-6-24-21(23)15-33-35(24)19-10-8-18(9-11-19)27(29,30)31/h2,5-13,15,17H,1,3-4,14H2,(H,32,36)(H,34,37)
InChIKeyAHFQFEHVHXGKFT-UHFFFAOYSA-N
MW526.95 g/mol
LogP6.37
Rot. Bonds6

About 2-chloro-5-[(cyclobutanecarbonylamino)methyl]-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide

2-chloro-5-[(cyclobutanecarbonylamino)methyl]-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide (PubChem CID 168967957) has the molecular formula C27H22ClF3N4O2 and a molecular weight of 526.95 g/mol. Its IUPAC name is 2-chloro-5-[(cyclobutanecarbonylamino)methyl]-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-5-[(cyclobutanecarbonylamino)methyl]-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide
PubChem CID168967957
Molecular FormulaC27H22ClF3N4O2
Molecular Weight526.95 g/mol
Exact Mass526.14
IUPAC Name2-chloro-5-[(cyclobutanecarbonylamino)methyl]-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide
SMILESO=C(Nc1cccc2c1cnn2-c1ccc(C(F)(F)F)cc1)c1cc(CNC(=O)C2CCC2)ccc1Cl
InChIInChI=1S/C27H22ClF3N4O2/c28-22-12-7-16(14-32-25(36)17-3-1-4-17)13-20(22)26(37)34-23-5-2-6-24-21(23)15-33-35(24)19-10-8-18(9-11-19)27(29,30)31/h2,5-13,15,17H,1,3-4,14H2,(H,32,36)(H,34,37)
InChIKeyAHFQFEHVHXGKFT-UHFFFAOYSA-N
XLogP6.37
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.95
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-[(cyclobutanecarbonylamino)methyl]-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-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-(3-chloro-4-fluorophenyl)-1-methylindazole-5-carboxamide
CID 77844718
2,6-dichloro-N-ethyl-N-[3,3,3-trifluoro-2-[[[1-(4-fluorophenyl)indazol-4-yl]amino]methyl]-2-hydroxypropyl]benzamide
CID 24937936
2-Chloro-N-ethyl-N-[3,3,3-trifluoro-2-({[1-(4-fluorophenyl)-1H-indazol-4-yl]amino}methyl)-2-hydroxypropyl]benzamide
CID 45269354
5H-1-benzazepin-5-ylidene acetamide, 1d
CID 44520854
5H-1-benzazepin-5-ylidene acetamide, 1k
CID 44520861
5H-1-benzazepin-5-ylidene acetamide, 1s
CID 44520868
5H-1-benzazepin-5-ylidene acetamide, 10h
CID 44520878
2,6-dichloro-N-ethyl-N-[(2R)-3,3,3-trifluoro-2-[[[1-(4-fluorophenyl)indazol-4-yl]amino]methyl]-2-hydroxypropyl]benzamide
CID 53321912
2-(4-{[(2,2-Difluoroethyl)amino]methyl}phenyl)-2H-indazole-7-carboxamide
CID 44549778
4-chloro-2-(4-((methylamino)methyl)phenyl)-2H-indazole-7-carboxamide
CID 46226379
1-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
CID 58138845
N-(3-chloro-4-fluorophenyl)-2-methylindazole-5-carboxamide
CID 77844719

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(cyclobutanecarbonylamino)methyl]-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide?
The IUPAC name of 2-chloro-5-[(cyclobutanecarbonylamino)methyl]-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide (CID 168967957) is 2-chloro-5-[(cyclobutanecarbonylamino)methyl]-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide.
What is the SMILES notation for 2-chloro-5-[(cyclobutanecarbonylamino)methyl]-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide?
The canonical SMILES for 2-chloro-5-[(cyclobutanecarbonylamino)methyl]-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide is O=C(Nc1cccc2c1cnn2-c1ccc(C(F)(F)F)cc1)c1cc(CNC(=O)C2CCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(cyclobutanecarbonylamino)methyl]-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide?
The InChIKey is AHFQFEHVHXGKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClF3N4O2/c28-22-12-7-16(14-32-25(36)17-3-1-4-17)13-20(22)26(37)34-23-5-2-6-24-21(23)15-33-35(24)19-10-8-18(9-11-19)27(29,30)31/h2,5-13,15,17H,1,3-4,14H2,(H,32,36)(H,34,37).
What are the key properties of 2-chloro-5-[(cyclobutanecarbonylamino)methyl]-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide?
2-chloro-5-[(cyclobutanecarbonylamino)methyl]-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide has a molecular weight of 526.95 g/mol, XLogP of 6.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(cyclobutanecarbonylamino)methyl]-N-[1-[4-(trifluoromethyl)phenyl]indazol-4-yl]benzamide is sourced from PubChem (CID 168967957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).