N-(4-fluoro-3-methylphenyl)-4-[1-hydroxy-2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]ethyl]-1-methylpyrrole-2-carboxamide

C18H19F4N3O3 — CID 144780093

IUPACN-(4-fluoro-3-methylphenyl)-4-[1-hydroxy-2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]ethyl]-1-methylpyrrole-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(C(O)C(=O)N[C@H](C)C(F)(F)F)cn2C)ccc1F
InChIInChI=1S/C18H19F4N3O3/c1-9-6-12(4-5-13(9)19)24-16(27)14-7-11(8-25(14)3)15(26)17(28)23-10(2)18(20,21)22/h4-8,10,15,26H,1-3H3,(H,23,28)(H,24,27)/t10-,15?/m1/s1
InChIKeyPLLDRSZJTALVCP-INHVJJQHSA-N
MW401.36 g/mol
LogP2.83
Rot. Bonds5

About N-(4-fluoro-3-methylphenyl)-4-[1-hydroxy-2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]ethyl]-1-methylpyrrole-2-carboxamide

N-(4-fluoro-3-methylphenyl)-4-[1-hydroxy-2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]ethyl]-1-methylpyrrole-2-carboxamide (PubChem CID 144780093) has the molecular formula C18H19F4N3O3 and a molecular weight of 401.36 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-4-[1-hydroxy-2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]ethyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-4-[1-hydroxy-2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]ethyl]-1-methylpyrrole-2-carboxamide
PubChem CID144780093
Molecular FormulaC18H19F4N3O3
Molecular Weight401.36 g/mol
Exact Mass401.14
IUPAC NameN-(4-fluoro-3-methylphenyl)-4-[1-hydroxy-2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]ethyl]-1-methylpyrrole-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(C(O)C(=O)N[C@H](C)C(F)(F)F)cn2C)ccc1F
InChIInChI=1S/C18H19F4N3O3/c1-9-6-12(4-5-13(9)19)24-16(27)14-7-11(8-25(14)3)15(26)17(28)23-10(2)18(20,21)22/h4-8,10,15,26H,1-3H3,(H,23,28)(H,24,27)/t10-,15?/m1/s1
InChIKeyPLLDRSZJTALVCP-INHVJJQHSA-N
XLogP2.83
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.36
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-4-[1-hydroxy-2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]ethyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-4-[1-hydroxy-2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]ethyl]-1-methylpyrrole-2-carboxamide (CID 144780093) is N-(4-fluoro-3-methylphenyl)-4-[1-hydroxy-2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]ethyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-4-[1-hydroxy-2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]ethyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-4-[1-hydroxy-2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]ethyl]-1-methylpyrrole-2-carboxamide is Cc1cc(NC(=O)c2cc(C(O)C(=O)N[C@H](C)C(F)(F)F)cn2C)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-4-[1-hydroxy-2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]ethyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is PLLDRSZJTALVCP-INHVJJQHSA-N. The full InChI is InChI=1S/C18H19F4N3O3/c1-9-6-12(4-5-13(9)19)24-16(27)14-7-11(8-25(14)3)15(26)17(28)23-10(2)18(20,21)22/h4-8,10,15,26H,1-3H3,(H,23,28)(H,24,27)/t10-,15?/m1/s1.
What are the key properties of N-(4-fluoro-3-methylphenyl)-4-[1-hydroxy-2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]ethyl]-1-methylpyrrole-2-carboxamide?
N-(4-fluoro-3-methylphenyl)-4-[1-hydroxy-2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]ethyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 401.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methylphenyl)-4-[1-hydroxy-2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]ethyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 144780093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).