2-chloro-N-[4-[[(2-methyl-1H-indol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide

C24H25ClF3N3O — CID 44814945

IUPAC2-chloro-N-[4-[[(2-methyl-1H-indol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
SMILESCc1cc2cc(NCC3CCC(NC(=O)c4cc(C(F)(F)F)ccc4Cl)CC3)ccc2[nH]1
InChIInChI=1S/C24H25ClF3N3O/c1-14-10-16-11-19(7-9-22(16)30-14)29-13-15-2-5-18(6-3-15)31-23(32)20-12-17(24(26,27)28)4-8-21(20)25/h4,7-12,15,18,29-30H,2-3,5-6,13H2,1H3,(H,31,32)
InChIKeyCLGQOIIVWIJBQE-UHFFFAOYSA-N
MW463.93 g/mol
LogP6.55
Rot. Bonds5

About 2-chloro-N-[4-[[(2-methyl-1H-indol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide

2-chloro-N-[4-[[(2-methyl-1H-indol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide (PubChem CID 44814945) has the molecular formula C24H25ClF3N3O and a molecular weight of 463.93 g/mol. Its IUPAC name is 2-chloro-N-[4-[[(2-methyl-1H-indol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[[(2-methyl-1H-indol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
PubChem CID44814945
Molecular FormulaC24H25ClF3N3O
Molecular Weight463.93 g/mol
Exact Mass463.16
IUPAC Name2-chloro-N-[4-[[(2-methyl-1H-indol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
SMILESCc1cc2cc(NCC3CCC(NC(=O)c4cc(C(F)(F)F)ccc4Cl)CC3)ccc2[nH]1
InChIInChI=1S/C24H25ClF3N3O/c1-14-10-16-11-19(7-9-22(16)30-14)29-13-15-2-5-18(6-3-15)31-23(32)20-12-17(24(26,27)28)4-8-21(20)25/h4,7-12,15,18,29-30H,2-3,5-6,13H2,1H3,(H,31,32)
InChIKeyCLGQOIIVWIJBQE-UHFFFAOYSA-N
XLogP6.55
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.93
LogP ≤ 56.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-[4-[[(2-methyl-1H-indol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-[4-(anilinomethyl)cyclohexyl]-2-chloro-5-(trifluoromethyl)benzamide
CID 59186865
2-chloro-N-[4-[(4-ethoxyanilino)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 44815772
2-chloro-5-(trifluoromethyl)-N-[4-[[[5-(trifluoromethyl)-3-pyridinyl]amino]methyl]cyclohexyl]benzamide
CID 58317319
2-chloro-N-[4-[[3-ethenyl-4-(methylideneamino)anilino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 143937083
2-chloro-N-[4-[[[5-chloro-6-(trideuteriomethyl)-3-pyridinyl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 58317272
2-chloro-N-[4-[[[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 59186857
2-chloro-N-[4-[(2H-pyrrol-5-ylamino)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 58317484
2-chloro-N-[4-[[(1-methylbenzimidazol-2-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 59186810
[4-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]methyl trifluoromethanesulfonate
CID 86656575
2-chloro-N-[4-[[(3-propyl-2H-pyrrol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 58317406
fluoro 2-[4-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]-1,1-difluoroethanesulfonate
CID 87301295
2-chloro-N-[4-[(3,4-dimethylpyrazol-1-yl)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 53358855

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[[(2-methyl-1H-indol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[4-[[(2-methyl-1H-indol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide (CID 44814945) is 2-chloro-N-[4-[[(2-methyl-1H-indol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[4-[[(2-methyl-1H-indol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[4-[[(2-methyl-1H-indol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide is Cc1cc2cc(NCC3CCC(NC(=O)c4cc(C(F)(F)F)ccc4Cl)CC3)ccc2[nH]1.
What is the InChIKey of 2-chloro-N-[4-[[(2-methyl-1H-indol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The InChIKey is CLGQOIIVWIJBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF3N3O/c1-14-10-16-11-19(7-9-22(16)30-14)29-13-15-2-5-18(6-3-15)31-23(32)20-12-17(24(26,27)28)4-8-21(20)25/h4,7-12,15,18,29-30H,2-3,5-6,13H2,1H3,(H,31,32).
What are the key properties of 2-chloro-N-[4-[[(2-methyl-1H-indol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
2-chloro-N-[4-[[(2-methyl-1H-indol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide has a molecular weight of 463.93 g/mol, XLogP of 6.55, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[[(2-methyl-1H-indol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 44814945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).