N-cyclohexyl-4-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-7-carboxamide

C23H22F4N2O2 — CID 146206489

IUPACN-cyclohexyl-4-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-7-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(F)c2ccn(Cc3ccc(OC(F)(F)F)cc3)c12
InChIInChI=1S/C23H22F4N2O2/c24-20-11-10-19(22(30)28-16-4-2-1-3-5-16)21-18(20)12-13-29(21)14-15-6-8-17(9-7-15)31-23(25,26)27/h6-13,16H,1-5,14H2,(H,28,30)
InChIKeyDMIJOGMHIDXSBI-UHFFFAOYSA-N
MW434.43 g/mol
LogP5.79
Rot. Bonds5

About N-cyclohexyl-4-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-7-carboxamide

N-cyclohexyl-4-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-7-carboxamide (PubChem CID 146206489) has the molecular formula C23H22F4N2O2 and a molecular weight of 434.43 g/mol. Its IUPAC name is N-cyclohexyl-4-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-7-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-7-carboxamide
PubChem CID146206489
Molecular FormulaC23H22F4N2O2
Molecular Weight434.43 g/mol
Exact Mass434.16
IUPAC NameN-cyclohexyl-4-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-7-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(F)c2ccn(Cc3ccc(OC(F)(F)F)cc3)c12
InChIInChI=1S/C23H22F4N2O2/c24-20-11-10-19(22(30)28-16-4-2-1-3-5-16)21-18(20)12-13-29(21)14-15-6-8-17(9-7-15)31-23(25,26)27/h6-13,16H,1-5,14H2,(H,28,30)
InChIKeyDMIJOGMHIDXSBI-UHFFFAOYSA-N
XLogP5.79
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.43
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[4-fluoro-1-[(4-phenylmethoxyphenyl)methyl]indole-7-carbonyl]amino]cyclohexane-1-carboxylate
CID 146206500
4-[[4-fluoro-1-[(4-phenylphenyl)methyl]indole-7-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 146187897
methyl 6-[2-[4-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]indol-7-yl]-2-oxoethyl]spiro[3.3]heptane-2-carboxylate
CID 157298314
2-[[1-[(4-tert-butylphenyl)methyl]-4-fluoroindole-7-carbonyl]amino]spiro[3.3]heptane-6-carboxylic acid
CID 139578577
N-cyclohexyl-4-(trifluoromethoxy)benzamide
CID 53243010
6-[[4-fluoro-1-[(4-phenylphenyl)methyl]indole-7-carbonyl]amino]-2-methylspiro[3.3]heptane-2-carboxylic acid
CID 139578538
4-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-7-carboxylic acid;6-[2-[4-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]indol-7-yl]-2-oxoethyl]spiro[3.3]heptane-2-carboxylic acid;methyl 2-aminospiro[3.3]heptane-6-carboxylate;methyl 6-[2-[4-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]indol-7-yl]-2-oxoethyl]spiro[3.3]heptane-2-carboxylate;hydrochloride
CID 159728042
2-[[4-fluoro-1-[[4-(3-fluoro-4-methoxyphenyl)phenyl]methyl]indole-7-carbonyl]amino]spiro[3.3]heptane-6-carboxylic acid
CID 139578679
N-cyclobutyl-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carboxamide;formic acid
CID 174532511
5-chloro-N-cyclopropyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide
CID 175347600
1-(cyclopentylamino)-3-[4-(trifluoromethoxy)phenyl]propan-2-one
CID 116558957
4-chloro-N-cycloheptyl-2-fluorobenzamide
CID 26002204

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-7-carboxamide?
The IUPAC name of N-cyclohexyl-4-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-7-carboxamide (CID 146206489) is N-cyclohexyl-4-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-7-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-7-carboxamide?
The canonical SMILES for N-cyclohexyl-4-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-7-carboxamide is O=C(NC1CCCCC1)c1ccc(F)c2ccn(Cc3ccc(OC(F)(F)F)cc3)c12.
What is the InChIKey of N-cyclohexyl-4-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-7-carboxamide?
The InChIKey is DMIJOGMHIDXSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4N2O2/c24-20-11-10-19(22(30)28-16-4-2-1-3-5-16)21-18(20)12-13-29(21)14-15-6-8-17(9-7-15)31-23(25,26)27/h6-13,16H,1-5,14H2,(H,28,30).
What are the key properties of N-cyclohexyl-4-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-7-carboxamide?
N-cyclohexyl-4-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-7-carboxamide has a molecular weight of 434.43 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-7-carboxamide is sourced from PubChem (CID 146206489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).