N-[[4-(4-hydroxyphenyl)phenyl]methyl]-1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrole-2-carboxamide

C33H26F3N3O3 — CID 10303390

IUPACN-[[4-(4-hydroxyphenyl)phenyl]methyl]-1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrole-2-carboxamide
SMILESCn1cc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1C(=O)NCc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C33H26F3N3O3/c1-39-20-26(38-31(41)29-5-3-2-4-28(29)24-10-14-25(15-11-24)33(34,35)36)18-30(39)32(42)37-19-21-6-8-22(9-7-21)23-12-16-27(40)17-13-23/h2-18,20,40H,19H2,1H3,(H,37,42)(H,38,41)
InChIKeyLMFSUGDANQYZSG-UHFFFAOYSA-N
MW569.58 g/mol
LogP7.27
Rot. Bonds7

About N-[[4-(4-hydroxyphenyl)phenyl]methyl]-1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrole-2-carboxamide

N-[[4-(4-hydroxyphenyl)phenyl]methyl]-1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrole-2-carboxamide (PubChem CID 10303390) has the molecular formula C33H26F3N3O3 and a molecular weight of 569.58 g/mol. Its IUPAC name is N-[[4-(4-hydroxyphenyl)phenyl]methyl]-1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-hydroxyphenyl)phenyl]methyl]-1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrole-2-carboxamide
PubChem CID10303390
Molecular FormulaC33H26F3N3O3
Molecular Weight569.58 g/mol
Exact Mass569.19
IUPAC NameN-[[4-(4-hydroxyphenyl)phenyl]methyl]-1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrole-2-carboxamide
SMILESCn1cc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1C(=O)NCc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C33H26F3N3O3/c1-39-20-26(38-31(41)29-5-3-2-4-28(29)24-10-14-25(15-11-24)33(34,35)36)18-30(39)32(42)37-19-21-6-8-22(9-7-21)23-12-16-27(40)17-13-23/h2-18,20,40H,19H2,1H3,(H,37,42)(H,38,41)
InChIKeyLMFSUGDANQYZSG-UHFFFAOYSA-N
XLogP7.27
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.58
LogP ≤ 57.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-(3-fluoro-4-hydroxyphenyl)-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]benzamide
CID 72705271
N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-6-hydroxynaphthalene-2-carboxamide
CID 15104610
1-[[4-(4-hydroxyphenyl)phenyl]methyl]-6,7-dihydro-5H-pyrrolo[2,3-c]azepine-4,8-dione
CID 46946015
N-(2-adamantyl)-4-(2-fluoro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide
CID 137545478
N-[2-(2-fluorophenyl)ethyl]-5-(4-hydroxyphenyl)pyridine-2-carboxamide
CID 155525051
N-[1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-6-hydroxynaphthalene-2-carboxamide
CID 23129946
1-methyl-N-[3-(4-phenylphenyl)prop-2-ynyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrole-2-carboxamide
CID 10231823
N-(4'-methylbiphenyl-4-yl)methyl-4-(4'-trifluoromethylbiphenyl-2-carbonylamino)-1-methylpyrrole-2-carboxylic Acid Amide
CID 10303339
N-[5-[2-(4-hydroxyphenyl)ethylamino]-1-(1-methylindol-3-yl)-5-oxopent-3-en-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 53785774
N-[5-[2-(4-hydroxyphenyl)ethylamino]-1-(1-methylindol-3-yl)-5-oxopentan-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 54094031
N-[(1S)-2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]-1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrole-2-carboxamide
CID 60101362
2-[7-(4-Cyanophenoxy)-1,2,3,4-tetrahydroisoquinolin-2-ylcarbonyl]-1-methyl-4-(4'-trifluoromethylbiphenyl-2-carbonylamino)pyrrole
CID 69861040

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-hydroxyphenyl)phenyl]methyl]-1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrole-2-carboxamide?
The IUPAC name of N-[[4-(4-hydroxyphenyl)phenyl]methyl]-1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrole-2-carboxamide (CID 10303390) is N-[[4-(4-hydroxyphenyl)phenyl]methyl]-1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrole-2-carboxamide.
What is the SMILES notation for N-[[4-(4-hydroxyphenyl)phenyl]methyl]-1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrole-2-carboxamide?
The canonical SMILES for N-[[4-(4-hydroxyphenyl)phenyl]methyl]-1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrole-2-carboxamide is Cn1cc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1C(=O)NCc1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of N-[[4-(4-hydroxyphenyl)phenyl]methyl]-1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrole-2-carboxamide?
The InChIKey is LMFSUGDANQYZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26F3N3O3/c1-39-20-26(38-31(41)29-5-3-2-4-28(29)24-10-14-25(15-11-24)33(34,35)36)18-30(39)32(42)37-19-21-6-8-22(9-7-21)23-12-16-27(40)17-13-23/h2-18,20,40H,19H2,1H3,(H,37,42)(H,38,41).
What are the key properties of N-[[4-(4-hydroxyphenyl)phenyl]methyl]-1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrole-2-carboxamide?
N-[[4-(4-hydroxyphenyl)phenyl]methyl]-1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrole-2-carboxamide has a molecular weight of 569.58 g/mol, XLogP of 7.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-hydroxyphenyl)phenyl]methyl]-1-methyl-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrole-2-carboxamide is sourced from PubChem (CID 10303390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).